CID 59418677

Tert-butyl n-{[4-(2-hydroxyethoxy)phenyl]methyl}carbamate

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)OCCO
InChI
InChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-10-11-4-6-12(7-5-11)18-9-8-16/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKey
RGQGDJFVOUKIHP-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(2-hydroxyethoxy)phenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

267.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 163.0
[M+Na]+ 290.136278 168.3
[M-H]- 266.139784 165.0
[M+NH4]+ 285.180883 178.8
[M+K]+ 306.110218 166.9
[M+H-H2O]+ 250.144320 156.5
[M+HCOO]- 312.145261 184.0
[M+CH3COO]- 326.160911 196.4
[M+Na-2H]- 288.121726 167.3
[M]+ 267.14651142 166.2
[M]- 267.14760858 166.2
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