CID 67987621

2170489-24-2

Structural Information

Molecular Formula
C7H11NO2
SMILES
CN1C[C@@H]2[C@H](C1)C2C(=O)O
InChI
InChI=1S/C7H11NO2/c1-8-2-4-5(3-8)6(4)7(9)10/h4-6H,2-3H2,1H3,(H,9,10)/t4-,5+,6?
InChIKey
AKYFBMZAWZFJPW-XEAPYIEGSA-N
Compound name
(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

141.07898 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 131.4
[M+Na]+ 164.068198 142.0
[M-H]- 140.071704 134.4
[M+NH4]+ 159.112803 149.2
[M+K]+ 180.042138 138.7
[M+H-H2O]+ 124.076240 126.2
[M+HCOO]- 186.077181 150.9
[M+CH3COO]- 200.092831 176.1
[M+Na-2H]- 162.053646 135.1
[M]+ 141.07843142 133.2
[M]- 141.07952858 133.2
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