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

4
Annotation Hits: 4
References: 5205
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]+	104.070606	119.8
[M+Na]+	126.052548	126.9
[M-H]-	102.056054	120.0
[M+NH4]+	121.097153	142.4
[M+K]+	142.026488	128.0
[M+H-H2O]+	86.060590	115.3
[M+HCOO]-	148.061531	143.3
[M+CH3COO]-	162.077181	169.2
[M+Na-2H]-	124.037996	124.5
[M]+	103.06278142	119.2
[M]-	103.06387858	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe