CID 18752838

2-[[4-(boc-amino)methyl]phenoxy]acetic acid

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

10
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 164.2
[M+Na]+ 304.11552 172.4
[M+NH4]+ 299.16012 168.8
[M+K]+ 320.08946 169.5
[M-H]- 280.11902 163.0
[M+Na-2H]- 302.10097 167.3
[M]+ 281.12575 164.6
[M]- 281.12685 164.6
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