CID 12655

673-19-8

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

InChI=1S/C12H17NO2/c1-4-9(2)10-6-5-7-11(8-10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)

InChIKey

NTZPCBGVBWXEOC-UHFFFAOYSA-N

Compound name

(3-butan-2-ylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 207.12593 Da
Monoisotopic Mass: 3.2
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]+	208.13321	147.9
[M+Na]+	230.11515	158.9
[M+NH4]+	225.15975	155.5
[M+K]+	246.08909	153.2
[M-H]-	206.11865	149.9
[M+Na-2H]-	228.10060	153.6
[M]+	207.12538	149.8
[M]-	207.12648	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe