CID 11506821

(1s,3s,5s)-2-azabicyclo[3.1.0]hexane-3-carboxamide

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)N
InChI
InChI=1S/C6H10N2O/c7-6(9)5-2-3-1-4(3)8-5/h3-5,8H,1-2H2,(H2,7,9)/t3-,4-,5-/m0/s1
InChIKey
MCEWPPMUTVLMJG-YUPRTTJUSA-N
Compound name
(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

126.079315 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 125.9
[M+Na]+ 149.068533 135.3
[M-H]- 125.072039 128.2
[M+NH4]+ 144.113138 143.5
[M+K]+ 165.042473 131.4
[M+H-H2O]+ 109.076575 120.4
[M+HCOO]- 171.077516 146.1
[M+CH3COO]- 185.093166 174.2
[M+Na-2H]- 147.053981 130.3
[M]+ 126.07876642 124.0
[M]- 126.07986358 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe