CID 9815662

74965-31-4

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1=CC=CC=C1NC(=O)OC(C)(C)C

InChI

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

InChIKey

UMDAFUNCFQYMDP-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 207.12593 Da
Monoisotopic Mass: 2.7
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	147.8
[M+Na]+	230.11515	158.8
[M+NH4]+	225.15975	155.4
[M+K]+	246.08909	153.6
[M-H]-	206.11865	149.4
[M+Na-2H]-	228.10060	153.8
[M]+	207.12538	149.7
[M]-	207.12648	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe