CID 4189925

53249-34-6

Structural Information

Molecular Formula
C13H17NO5
SMILES
CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C13H17NO5/c1-13(2,3)19-12(18)14-10(11(16)17)8-4-6-9(15)7-5-8/h4-7,10,15H,1-3H3,(H,14,18)(H,16,17)
InChIKey
LRWJRIFKJPPAPM-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

267.1107 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 159.6
[M+Na]+ 290.09992 164.4
[M-H]- 266.10342 160.5
[M+NH4]+ 285.14452 174.2
[M+K]+ 306.07386 163.6
[M+H-H2O]+ 250.10796 153.7
[M+HCOO]- 312.10890 177.8
[M+CH3COO]- 326.12455 194.3
[M+Na-2H]- 288.08537 161.7
[M]+ 267.11015 160.0
[M]- 267.11125 160.0
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

patents stripe