CID 12325553

Benzyl n-(1-hydroxy-2-methylpropan-2-yl)carbamate

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC(C)(CO)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO3/c1-12(2,9-14)13-11(15)16-8-10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3,(H,13,15)

InChIKey

CXMLBZXMMMIGES-UHFFFAOYSA-N

Compound name

benzyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 223.12085 Da
Monoisotopic Mass: 1.4
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	151.2
[M+Na]+	246.110068	156.4
[M-H]-	222.113574	153.1
[M+NH4]+	241.154673	168.4
[M+K]+	262.084008	154.8
[M+H-H2O]+	206.118110	145.1
[M+HCOO]-	268.119051	172.6
[M+CH3COO]-	282.134701	187.7
[M+Na-2H]-	244.095516	157.1
[M]+	223.12030142	151.9
[M]-	223.12139858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe