CID 39871579

1212105-25-3

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
(1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
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 126.6
[M+Na]+ 150.05255 136.4
[M-H]- 126.05605 128.2
[M+NH4]+ 145.09715 144.0
[M+K]+ 166.02649 132.5
[M+H-H2O]+ 110.06059 121.5
[M+HCOO]- 172.06153 145.1
[M+CH3COO]- 186.07718 169.7
[M+Na-2H]- 148.03800 131.1
[M]+ 127.06278 126.0
[M]- 127.06388 126.0
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