CID 107617

Dimethylol isopropyl carbamate

Structural Information

Molecular Formula

C₆H₁₃NO₄

SMILES

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

InChI

InChI=1S/C6H13NO4/c1-5(2)11-6(10)7(3-8)4-9/h5,8-9H,3-4H2,1-2H3

InChIKey

DSMDTSQLIDMSDR-UHFFFAOYSA-N

Compound name

propan-2-yl N,N-bis(hydroxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 163.08446 Da
Monoisotopic Mass: -0.2
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]+	164.09174	135.1
[M+Na]+	186.07368	140.6
[M-H]-	162.07718	134.1
[M+NH4]+	181.11828	154.7
[M+K]+	202.04762	142.2
[M+H-H2O]+	146.08172	130.0
[M+HCOO]-	208.08266	156.6
[M+CH3COO]-	222.09831	177.8
[M+Na-2H]-	184.05913	138.0
[M]+	163.08391	136.6
[M]-	163.08501	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe