CID 84278

14236-02-3

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CC(C)OC(=O)NCO

InChI

InChI=1S/C5H11NO3/c1-4(2)9-5(8)6-3-7/h4,7H,3H2,1-2H3,(H,6,8)

InChIKey

DDAPWCYXRCDPQS-UHFFFAOYSA-N

Compound name

propan-2-yl N-(hydroxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 133.0739 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]+	134.08118	127.4
[M+Na]+	156.06312	135.3
[M+NH4]+	151.10772	133.8
[M+K]+	172.03706	132.4
[M-H]-	132.06662	125.5
[M+Na-2H]-	154.04857	129.5
[M]+	133.07335	127.4
[M]-	133.07445	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe