CID 155385

70628-36-3

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O
InChI
InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)
InChIKey
HYHJOUPYTUBFIX-UHFFFAOYSA-N
Compound name
2-oxo-2-(N-propan-2-ylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

2
Patents

207.08954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 145.5
[M+Na]+ 230.078758 150.7
[M-H]- 206.082264 149.0
[M+NH4]+ 225.123363 163.7
[M+K]+ 246.052698 150.7
[M+H-H2O]+ 190.086800 139.1
[M+HCOO]- 252.087741 167.6
[M+CH3COO]- 266.103391 188.8
[M+Na-2H]- 228.064206 148.0
[M]+ 207.08899142 145.6
[M]- 207.09008858 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe