CID 45089930

927679-50-3

Structural Information

Molecular Formula
C7H11NO2
SMILES
COC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1
InChI
InChI=1S/C7H11NO2/c1-10-7(9)6-5-2-4(5)3-8-6/h4-6,8H,2-3H2,1H3/t4-,5-,6+/m1/s1
InChIKey
XRILGDCLXWSSHU-PBXRRBTRSA-N
Compound name
methyl (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

141.07898 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 132.1
[M+Na]+ 164.06820 141.9
[M-H]- 140.07170 134.8
[M+NH4]+ 159.11280 149.7
[M+K]+ 180.04214 138.7
[M+H-H2O]+ 124.07624 126.6
[M+HCOO]- 186.07718 151.7
[M+CH3COO]- 200.09283 174.4
[M+Na-2H]- 162.05365 136.4
[M]+ 141.07843 133.4
[M]- 141.07953 133.4
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