CID 84074018

2-azabicyclo[2.1.1]hexane-1-carboxamide

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1C2CC1(NC2)C(=O)N
InChI
InChI=1S/C6H10N2O/c7-5(9)6-1-4(2-6)3-8-6/h4,8H,1-3H2,(H2,7,9)
InChIKey
WMPZXWYQVLSYIB-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.1.1]hexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

126.079315 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 134.5
[M+Na]+ 149.06853 140.0
[M-H]- 125.07204 132.8
[M+NH4]+ 144.11314 156.3
[M+K]+ 165.04247 141.0
[M+H-H2O]+ 109.07658 126.9
[M+HCOO]- 171.07752 150.7
[M+CH3COO]- 185.09317 175.4
[M+Na-2H]- 147.05398 141.2
[M]+ 126.07877 142.7
[M]- 126.07986 142.7
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

patents stripe