CID 59129867

1041867-60-0

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1)/C=C/C(=O)O
InChI
InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-11-6-4-5-10(9-11)7-8-12(16)17/h4-9H,1-3H3,(H,15,18)(H,16,17)/b8-7+
InChIKey
ZAWVCJCZCIEHTI-BQYQJAHWSA-N
Compound name
(E)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

263.11575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 160.3
[M+Na]+ 286.104968 166.0
[M-H]- 262.108474 162.5
[M+NH4]+ 281.149573 176.0
[M+K]+ 302.078908 163.9
[M+H-H2O]+ 246.113010 154.2
[M+HCOO]- 308.113951 180.7
[M+CH3COO]- 322.129601 194.9
[M+Na-2H]- 284.090416 163.5
[M]+ 263.11520142 161.3
[M]- 263.11629858 161.3
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