CID 3051626

3-(3-metil-3-metilcarbamilossi)butil-8-propionil-3,8-diazobiciclo(3.2.1)ottano [italian]

Structural Information

Molecular Formula
C16H29N3O3
SMILES
CCC(=O)N1C2CCC1CN(C2)CCC(C)(C)OC(=O)NC
InChI
InChI=1S/C16H29N3O3/c1-5-14(20)19-12-6-7-13(19)11-18(10-12)9-8-16(2,3)22-15(21)17-4/h12-13H,5-11H2,1-4H3,(H,17,21)
InChIKey
RFEXMWLZMCTKCU-UHFFFAOYSA-N
Compound name
[2-methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2209 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.22818 179.2
[M+Na]+ 334.21012 182.4
[M-H]- 310.21362 178.1
[M+NH4]+ 329.25472 194.5
[M+K]+ 350.18406 180.9
[M+H-H2O]+ 294.21816 172.5
[M+HCOO]- 356.21910 191.8
[M+CH3COO]- 370.23475 209.6
[M+Na-2H]- 332.19557 179.4
[M]+ 311.22035 179.4
[M]- 311.22145 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.