CID 616592

39076-23-8

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

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

InChI

InChI=1S/C14H21NO2/c1-9(2)11-7-6-8-12(10(3)4)13(11)15-14(16)17-5/h6-10H,1-5H3,(H,15,16)

InChIKey

JQDLSVLPYFAASJ-UHFFFAOYSA-N

Compound name

methyl N-[2,6-di(propan-2-yl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 235.15723 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]+	236.164506	156.4
[M+Na]+	258.146448	162.4
[M-H]-	234.149954	160.2
[M+NH4]+	253.191053	174.4
[M+K]+	274.120388	161.2
[M+H-H2O]+	218.154490	150.1
[M+HCOO]-	280.155431	178.1
[M+CH3COO]-	294.171081	198.1
[M+Na-2H]-	256.131896	157.1
[M]+	235.15668142	158.3
[M]-	235.15777858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe