CID 42614401

1122410-32-5

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC(C)OCNC(=O)OCC1=CC=CC=C1

InChI

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

InChIKey

NJNHLPYLCKMUMH-UHFFFAOYSA-N

Compound name

benzyl N-(propan-2-yloxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 223.12085 Da
Monoisotopic Mass: 2.2
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	151.4
[M+Na]+	246.110068	156.4
[M-H]-	222.113574	154.5
[M+NH4]+	241.154673	169.2
[M+K]+	262.084008	155.7
[M+H-H2O]+	206.118110	144.5
[M+HCOO]-	268.119051	174.9
[M+CH3COO]-	282.134701	190.8
[M+Na-2H]-	244.095516	155.8
[M]+	223.12030142	153.8
[M]-	223.12139858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe