CID 56828508

2-(benzylamino)-2-cyclopropylacetic acid

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CC1C(C(=O)O)NCC2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c14-12(15)11(10-6-7-10)13-8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,14,15)
InChIKey
NXJFQNBUMIJRNF-UHFFFAOYSA-N
Compound name
2-(benzylamino)-2-cyclopropylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 141.4
[M+Na]+ 228.09950 147.9
[M-H]- 204.10300 147.3
[M+NH4]+ 223.14410 154.3
[M+K]+ 244.07344 144.7
[M+H-H2O]+ 188.10754 134.7
[M+HCOO]- 250.10848 163.9
[M+CH3COO]- 264.12413 189.1
[M+Na-2H]- 226.08495 146.3
[M]+ 205.10973 142.0
[M]- 205.11083 142.0
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.