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]+ 142.08626 133.5
[M+Na]+ 164.06820 143.1
[M-H]- 140.07170 136.2
[M+NH4]+ 159.11280 152.7
[M+K]+ 180.04214 140.9
[M+H-H2O]+ 124.07624 128.7
[M+HCOO]- 186.07718 152.8
[M+CH3COO]- 200.09283 172.9
[M+Na-2H]- 162.05365 139.4
[M]+ 141.07843 134.8
[M]- 141.07953 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