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]+ 127.086591 134.5
[M+Na]+ 149.068533 140.0
[M-H]- 125.072039 132.8
[M+NH4]+ 144.113138 156.3
[M+K]+ 165.042473 141.0
[M+H-H2O]+ 109.076575 126.9
[M+HCOO]- 171.077516 150.7
[M+CH3COO]- 185.093166 175.4
[M+Na-2H]- 147.053981 141.2
[M]+ 126.07876642 142.7
[M]- 126.07986358 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