CID 870166

2-{[4-(propan-2-yloxy)phenyl]formamido}acetic acid

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C12H15NO4/c1-8(2)17-10-5-3-9(4-6-10)12(16)13-7-11(14)15/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKey
YDKJMFDJOJQCSO-UHFFFAOYSA-N
Compound name
2-[(4-propan-2-yloxybenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

237.10011 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 152.6
[M+Na]+ 260.089328 158.0
[M-H]- 236.092834 154.8
[M+NH4]+ 255.133933 169.0
[M+K]+ 276.063268 156.9
[M+H-H2O]+ 220.097370 146.1
[M+HCOO]- 282.098311 174.0
[M+CH3COO]- 296.113961 192.4
[M+Na-2H]- 258.074776 154.6
[M]+ 237.09956142 153.7
[M]- 237.10065858 153.7
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