CID 19837

3-isopropylphenyl n,n-dimethylcarbamate

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

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

InChIKey

RDKXIDLUGBHOCT-UHFFFAOYSA-N

Compound name

(3-propan-2-ylphenyl) N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	147.3
[M+Na]+	230.11515	158.5
[M+NH4]+	225.15975	155.2
[M+K]+	246.08909	153.3
[M-H]-	206.11865	149.6
[M+Na-2H]-	228.10060	153.3
[M]+	207.12538	149.4
[M]-	207.12648	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe