CID 11094581

100819-58-7

Structural Information

Molecular Formula
C5H9NO2
SMILES
C[C@@H]1C[C@@]1(C(=O)O)N
InChI
InChI=1S/C5H9NO2/c1-3-2-5(3,6)4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-,5-/m1/s1
InChIKey
WCSASARZTXJEJS-NQXXGFSBSA-N
Compound name
(1R,2R)-1-amino-2-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.06333 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 123.2
[M+Na]+ 138.05255 134.0
[M+NH4]+ 133.09715 132.7
[M+K]+ 154.02649 130.2
[M-H]- 114.05605 130.6
[M+Na-2H]- 136.03800 131.1
[M]+ 115.06278 127.8
[M]- 115.06388 127.8
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.