CID 10953607

Rac-methyl (1r,5s)-2-azabicyclo[3.1.0]hexane-1-carboxylate

Structural Information

Molecular Formula
C7H11NO2
SMILES
COC(=O)[C@]12C[C@H]1CCN2
InChI
InChI=1S/C7H11NO2/c1-10-6(9)7-4-5(7)2-3-8-7/h5,8H,2-4H2,1H3/t5-,7+/m1/s1
InChIKey
LZKGHFYTMJOLSL-VDTYLAMSSA-N
Compound name
methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

141.07898 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 133.5
[M+Na]+ 164.068198 143.1
[M-H]- 140.071704 136.2
[M+NH4]+ 159.112803 152.7
[M+K]+ 180.042138 140.9
[M+H-H2O]+ 124.076240 128.7
[M+HCOO]- 186.077181 152.8
[M+CH3COO]- 200.092831 172.9
[M+Na-2H]- 162.053646 139.4
[M]+ 141.07843142 134.9
[M]- 141.07952858 134.9
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