CID 17516

Promecarb

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1=CC(=CC(=C1)OC(=O)NC)C(C)C

InChI

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

InChIKey

DTAPQAJKAFRNJB-UHFFFAOYSA-N

Compound name

(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 12
References: 13344
Patents: 207.12593 Da
Monoisotopic Mass: 3.1
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	147.6
[M+Na]+	230.11515	158.9
[M+NH4]+	225.15975	155.2
[M+K]+	246.08909	153.5
[M-H]-	206.11865	149.6
[M+Na-2H]-	228.10060	153.1
[M]+	207.12538	149.6
[M]-	207.12648	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe