CID 50008

Isobutyl (hydroxymethyl)carbamate

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(C)COC(=O)NCO

InChI

InChI=1S/C6H13NO3/c1-5(2)3-10-6(9)7-4-8/h5,8H,3-4H2,1-2H3,(H,7,9)

InChIKey

ZOUPSODOXQZUIW-UHFFFAOYSA-N

Compound name

2-methylpropyl N-(hydroxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 88
Patents: 147.08954 Da
Monoisotopic Mass: 0.7
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]+	148.09682	132.3
[M+Na]+	170.07876	138.1
[M-H]-	146.08226	131.3
[M+NH4]+	165.12336	152.7
[M+K]+	186.05270	138.7
[M+H-H2O]+	130.08680	127.4
[M+HCOO]-	192.08774	154.6
[M+CH3COO]-	206.10339	174.8
[M+Na-2H]-	168.06421	136.4
[M]+	147.08899	133.0
[M]-	147.09009	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe