CID 115438

Brn 0526177

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CCC(=O)N1CC2CCC(C1)N2C(=O)CC
InChI
InChI=1S/C12H20N2O2/c1-3-11(15)13-7-9-5-6-10(8-13)14(9)12(16)4-2/h9-10H,3-8H2,1-2H3
InChIKey
AFIXAFUSSQHYKM-UHFFFAOYSA-N
Compound name
1-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 154.8
[M+Na]+ 247.141698 160.4
[M-H]- 223.145204 154.2
[M+NH4]+ 242.186303 173.9
[M+K]+ 263.115638 158.6
[M+H-H2O]+ 207.149740 148.2
[M+HCOO]- 269.150681 169.1
[M+CH3COO]- 283.166331 190.8
[M+Na-2H]- 245.127146 155.1
[M]+ 224.15193142 153.3
[M]- 224.15302858 153.3
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.