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 147.1
[M+Na]+ 228.09950 158.8
[M+NH4]+ 223.14410 155.4
[M+K]+ 244.07344 154.8
[M-H]- 204.10300 156.7
[M+Na-2H]- 226.08495 156.1
[M]+ 205.10973 152.4
[M]- 205.11083 152.4
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.