CID 84819129

2639408-03-8

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CC1)CC(C(=O)O)N
InChI
InChI=1S/C7H13NO2/c1-7(2-3-7)4-5(8)6(9)10/h5H,2-4,8H2,1H3,(H,9,10)
InChIKey
GXUBADBLASILKZ-UHFFFAOYSA-N
Compound name
2-amino-3-(1-methylcyclopropyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

143.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 129.4
[M+Na]+ 166.08386 137.5
[M-H]- 142.08736 132.6
[M+NH4]+ 161.12846 146.7
[M+K]+ 182.05780 136.1
[M+H-H2O]+ 126.09190 125.3
[M+HCOO]- 188.09284 150.6
[M+CH3COO]- 202.10849 178.0
[M+Na-2H]- 164.06931 134.2
[M]+ 143.09409 130.2
[M]- 143.09519 130.2
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

No patent data available for this compound.