CID 2755997

168892-66-8

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-8-9-19-11-6-4-10(5-7-11)12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
COIQSXDNBXSYMY-UHFFFAOYSA-N
Compound name
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

281.1263 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.133576 164.1
[M+Na]+ 304.115518 169.2
[M-H]- 280.119024 166.1
[M+NH4]+ 299.160123 179.0
[M+K]+ 320.089458 168.4
[M+H-H2O]+ 264.123560 157.6
[M+HCOO]- 326.124501 184.5
[M+CH3COO]- 340.140151 198.7
[M+Na-2H]- 302.100966 167.4
[M]+ 281.12575142 167.4
[M]- 281.12684858 167.4
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

patents stripe