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: 42
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]+	208.133206	147.9
[M+Na]+	230.115148	153.9
[M-H]-	206.118654	151.5
[M+NH4]+	225.159753	166.7
[M+K]+	246.089088	152.7
[M+H-H2O]+	190.123190	141.5
[M+HCOO]-	252.124131	171.2
[M+CH3COO]-	266.139781	189.9
[M+Na-2H]-	228.100596	151.5
[M]+	207.12538142	149.3
[M]-	207.12647858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe