CID 21993723

Tert-butyl n-[3-(3-hydroxypropyl)phenyl]carbamate

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1)CCCO
InChI
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12-8-4-6-11(10-12)7-5-9-16/h4,6,8,10,16H,5,7,9H2,1-3H3,(H,15,17)
InChIKey
QQBYPZWPGFLUAB-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(3-hydroxypropyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

251.15215 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.159426 160.2
[M+Na]+ 274.141368 165.7
[M-H]- 250.144874 162.3
[M+NH4]+ 269.185973 176.7
[M+K]+ 290.115308 163.6
[M+H-H2O]+ 234.149410 154.1
[M+HCOO]- 296.150351 181.0
[M+CH3COO]- 310.166001 194.3
[M+Na-2H]- 272.126816 164.4
[M]+ 251.15160142 162.0
[M]- 251.15269858 162.0
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