CID 18752838

81123-40-2

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)OCC(=O)O
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-8-10-4-6-11(7-5-10)19-9-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
MNHXBHCRRQWGSB-UHFFFAOYSA-N
Compound name
2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

281.1263 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13358 164.1
[M+Na]+ 304.11552 169.2
[M-H]- 280.11902 166.1
[M+NH4]+ 299.16012 179.0
[M+K]+ 320.08946 168.4
[M+H-H2O]+ 264.12356 157.6
[M+HCOO]- 326.12450 184.5
[M+CH3COO]- 340.14015 198.7
[M+Na-2H]- 302.10097 167.4
[M]+ 281.12575 167.4
[M]- 281.12685 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