CID 11085418

Tert-butyl 4-hydroxybenzylcarbamate

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)O

InChI

InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)13-8-9-4-6-10(14)7-5-9/h4-7,14H,8H2,1-3H3,(H,13,15)

InChIKey

PONJIMVVHPQAJL-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-hydroxyphenyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 336
Patents: 223.12085 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.128126	151.0
[M+Na]+	246.110068	157.3
[M-H]-	222.113574	153.4
[M+NH4]+	241.154673	168.6
[M+K]+	262.084008	155.7
[M+H-H2O]+	206.118110	145.2
[M+HCOO]-	268.119051	172.4
[M+CH3COO]-	282.134701	188.2
[M+Na-2H]-	244.095516	156.2
[M]+	223.12030142	152.0
[M]-	223.12139858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe