CID 14248196

16297-94-2

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

CC1(N=N1)CCCO

InChI

InChI=1S/C5H10N2O/c1-5(6-7-5)3-2-4-8/h8H,2-4H2,1H3

InChIKey

DJJQQKQBBXUDCM-UHFFFAOYSA-N

Compound name

3-(3-methyldiazirin-3-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 114.079315 Da
Monoisotopic Mass: 0.5
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]+	115.08659	129.5
[M+Na]+	137.06853	140.5
[M-H]-	113.07204	130.7
[M+NH4]+	132.11314	146.2
[M+K]+	153.04247	138.8
[M+H-H2O]+	97.076575	123.7
[M+HCOO]-	159.07752	151.5
[M+CH3COO]-	173.09317	170.4
[M+Na-2H]-	135.05398	138.6
[M]+	114.07877	133.8
[M]-	114.07986	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe