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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

127.06333 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 126.6
[M+Na]+ 150.052548 136.4
[M-H]- 126.056054 128.2
[M+NH4]+ 145.097153 144.0
[M+K]+ 166.026488 132.5
[M+H-H2O]+ 110.060590 121.5
[M+HCOO]- 172.061531 145.1
[M+CH3COO]- 186.077181 169.7
[M+Na-2H]- 148.037996 131.1
[M]+ 127.06278142 126.0
[M]- 127.06387858 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