CID 10103122

154001-70-4

Structural Information

Molecular Formula
C5H7NO
SMILES
C1[C@@H]2[C@H]1C(=O)NC2
InChI
InChI=1S/C5H7NO/c7-5-4-1-3(4)2-6-5/h3-4H,1-2H2,(H,6,7)/t3-,4-/m0/s1
InChIKey
KHLMVJUFZYQPEP-IMJSIDKUSA-N
Compound name
(1S,5R)-3-azabicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

97.052765 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 120.0
[M+Na]+ 120.04198 130.9
[M-H]- 96.045489 123.0
[M+NH4]+ 115.08659 139.3
[M+K]+ 136.01592 127.6
[M+H-H2O]+ 80.050025 114.7
[M+HCOO]- 142.05097 141.0
[M+CH3COO]- 156.06662 166.5
[M+Na-2H]- 118.02743 126.5
[M]+ 97.052216 119.9
[M]- 97.053314 119.9
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