CID 115604

63990-44-3

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CCC(=O)OCN1C2CCC1CN(C2)C
InChI
InChI=1S/C11H20N2O2/c1-3-11(14)15-8-13-9-4-5-10(13)7-12(2)6-9/h9-10H,3-8H2,1-2H3
InChIKey
KLCAYWXSRJHEOT-UHFFFAOYSA-N
Compound name
(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.15248 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 151.1
[M+Na]+ 235.14170 157.1
[M-H]- 211.14520 150.5
[M+NH4]+ 230.18630 170.7
[M+K]+ 251.11564 155.6
[M+H-H2O]+ 195.14974 144.4
[M+HCOO]- 257.15068 166.5
[M+CH3COO]- 271.16633 188.5
[M+Na-2H]- 233.12715 153.1
[M]+ 212.15193 150.7
[M]- 212.15303 150.7
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.