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
cis-(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]+ 116.070606 120.6
[M+Na]+ 138.052548 130.6
[M-H]- 114.056054 124.4
[M+NH4]+ 133.097153 139.3
[M+K]+ 154.026488 129.1
[M+H-H2O]+ 98.060590 117.0
[M+HCOO]- 160.061531 143.2
[M+CH3COO]- 174.077181 172.5
[M+Na-2H]- 136.037996 126.8
[M]+ 115.06278142 121.6
[M]- 115.06387858 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.