CID 39871579

Rel-(1r,5s,6s)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1[C@@H]2[C@@H](C2C(=O)O)CN1
InChI
InChI=1S/C6H9NO2/c8-6(9)5-3-1-7-2-4(3)5/h3-5,7H,1-2H2,(H,8,9)/t3-,4+,5?
InChIKey
QWFCVBMSMZUVFU-NGQZWQHPSA-N
Compound name
(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

127.06333 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 126.7
[M+Na]+ 150.05255 136.9
[M+NH4]+ 145.09715 135.0
[M+K]+ 166.02649 136.0
[M-H]- 126.05605 132.6
[M+Na-2H]- 148.03800 131.3
[M]+ 127.06278 130.5
[M]- 127.06388 130.5
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