CID 3056677

2-amino-2-cyclopropyl-2-phenylacetic acid

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC1C(C2=CC=CC=C2)(C(=O)O)N
InChI
InChI=1S/C11H13NO2/c12-11(10(13)14,9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)
InChIKey
VPMDHEYROUXUEB-UHFFFAOYSA-N
Compound name
2-amino-2-cyclopropyl-2-phenylacetic 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 136.9
[M+Na]+ 214.08386 144.5
[M-H]- 190.08736 142.7
[M+NH4]+ 209.12846 150.3
[M+K]+ 230.05780 141.1
[M+H-H2O]+ 174.09190 131.0
[M+HCOO]- 236.09284 158.5
[M+CH3COO]- 250.10849 185.1
[M+Na-2H]- 212.06931 143.3
[M]+ 191.09409 136.4
[M]- 191.09519 136.4
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.