CID 15628

Isopropyl carbamate

Structural Information

Molecular Formula

SMILES

CC(C)OC(=O)N

InChI

InChI=1S/C4H9NO2/c1-3(2)7-4(5)6/h3H,1-2H3,(H2,5,6)

InChIKey

OVPLZYJGTGDFNB-UHFFFAOYSA-N

Compound name

propan-2-yl carbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 3178
Patents: 103.06333 Da
Monoisotopic Mass: 0.3
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]+	104.07061	119.6
[M+Na]+	126.05255	128.4
[M+NH4]+	121.09715	126.9
[M+K]+	142.02649	125.1
[M-H]-	102.05605	118.6
[M+Na-2H]-	124.03800	122.6
[M]+	103.06278	120.1
[M]-	103.06388	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe