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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

141.07898 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 131.4
[M+Na]+ 164.06820 142.0
[M-H]- 140.07170 134.4
[M+NH4]+ 159.11280 149.2
[M+K]+ 180.04214 138.7
[M+H-H2O]+ 124.07624 126.2
[M+HCOO]- 186.07718 150.9
[M+CH3COO]- 200.09283 176.1
[M+Na-2H]- 162.05365 135.1
[M]+ 141.07843 133.2
[M]- 141.07953 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