CID 11094581

Rac-(1r,2r)-1-amino-2-methylcyclopropane-1-carboxylic acid hydrochloride

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 120.6
[M+Na]+ 138.05255 130.6
[M-H]- 114.05605 124.4
[M+NH4]+ 133.09715 139.3
[M+K]+ 154.02649 129.1
[M+H-H2O]+ 98.060590 117.0
[M+HCOO]- 160.06153 143.2
[M+CH3COO]- 174.07718 172.5
[M+Na-2H]- 136.03800 126.8
[M]+ 115.06278 121.6
[M]- 115.06388 121.6
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.