CID 3017679

2-hydroxypropyl carbazate

Structural Information

Molecular Formula

C₄H₁₀N₂O₃

SMILES

CC(COC(=O)NN)O

InChI

InChI=1S/C4H10N2O3/c1-3(7)2-9-4(8)6-5/h3,7H,2,5H2,1H3,(H,6,8)

InChIKey

WBFZHJXKTITYLJ-UHFFFAOYSA-N

Compound name

2-hydroxypropyl N-aminocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 134.06914 Da
Monoisotopic Mass: -1.1
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]+	135.07642	127.1
[M+Na]+	157.05836	132.8
[M-H]-	133.06186	125.8
[M+NH4]+	152.10296	147.3
[M+K]+	173.03230	133.5
[M+H-H2O]+	117.06640	121.9
[M+HCOO]-	179.06734	150.3
[M+CH3COO]-	193.08299	173.2
[M+Na-2H]-	155.04381	131.3
[M]+	134.06859	125.1
[M]-	134.06969	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.