CID 125425016

Rac-(1r,2s)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
C[C@@]1(C[C@]1(C(=O)O)N)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO2/c1-10(7-11(10,12)9(13)14)8-5-3-2-4-6-8/h2-6H,7,12H2,1H3,(H,13,14)/t10-,11-/m1/s1
InChIKey
OUCAXEAXUFGYFI-GHMZBOCLSA-N
Compound name
(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 139.0
[M+Na]+ 214.08386 148.7
[M-H]- 190.08736 145.7
[M+NH4]+ 209.12846 156.5
[M+K]+ 230.05780 146.7
[M+H-H2O]+ 174.09190 135.1
[M+HCOO]- 236.09284 161.4
[M+CH3COO]- 250.10849 185.2
[M+Na-2H]- 212.06931 146.0
[M]+ 191.09409 140.5
[M]- 191.09519 140.5
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.