CID 40311

Isobutyl n,n-dimethylolcarbamate

Structural Information

Molecular Formula

C₇H₁₅NO₄

SMILES

CC(C)COC(=O)N(CO)CO

InChI

InChI=1S/C7H15NO4/c1-6(2)3-12-7(11)8(4-9)5-10/h6,9-10H,3-5H2,1-2H3

InChIKey

SINROXZVULQBQU-UHFFFAOYSA-N

Compound name

2-methylpropyl N,N-bis(hydroxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 177.10011 Da
Monoisotopic Mass: 0.9
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]+	178.10739	139.1
[M+Na]+	200.08933	145.8
[M+NH4]+	195.13393	144.5
[M+K]+	216.06327	143.8
[M-H]-	176.09283	136.4
[M+Na-2H]-	198.07478	139.9
[M]+	177.09956	138.7
[M]-	177.10066	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe