CID 51897

73623-09-3

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1=CC=CC=C1N(C)C(=O)OC(C)C

InChI

InChI=1S/C12H17NO2/c1-9(2)15-12(14)13(4)11-8-6-5-7-10(11)3/h5-9H,1-4H3

InChIKey

BSCWAMNSHQSUGC-UHFFFAOYSA-N

Compound name

propan-2-yl N-methyl-N-(2-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.12593 Da
Monoisotopic Mass: 2.8
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]+	208.13321	147.2
[M+Na]+	230.11515	153.5
[M-H]-	206.11865	152.3
[M+NH4]+	225.15975	166.7
[M+K]+	246.08909	153.7
[M+H-H2O]+	190.12319	140.7
[M+HCOO]-	252.12413	171.1
[M+CH3COO]-	266.13978	193.4
[M+Na-2H]-	228.10060	150.2
[M]+	207.12538	149.9
[M]-	207.12648	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe