CID 11831452

Tert-butyl n-[2-(4-hydroxyphenyl)ethyl]carbamate

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)O
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-8-10-4-6-11(15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKey
ILNOTKMMDBWGOK-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

688
Patents

237.13649 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 155.6
[M+Na]+ 260.125708 161.5
[M-H]- 236.129214 157.8
[M+NH4]+ 255.170313 172.7
[M+K]+ 276.099648 159.7
[M+H-H2O]+ 220.133750 149.6
[M+HCOO]- 282.134691 176.7
[M+CH3COO]- 296.150341 191.3
[M+Na-2H]- 258.111156 160.3
[M]+ 237.13594142 157.0
[M]- 237.13703858 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe