CID 13072

Terbam

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

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

InChIKey

FSJYRLHKLVGCNH-UHFFFAOYSA-N

Compound name

(3-tert-butylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3009
Patents: 207.12593 Da
Monoisotopic Mass: 2.9
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	154.2
[M-H]-	206.11865	151.2
[M+NH4]+	225.15975	166.4
[M+K]+	246.08909	152.9
[M+H-H2O]+	190.12319	141.6
[M+HCOO]-	252.12413	170.1
[M+CH3COO]-	266.13978	188.7
[M+Na-2H]-	228.10060	153.0
[M]+	207.12538	148.8
[M]-	207.12648	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe