CID 13399521

(2-chlorocyclopropyl)methanol

Structural Information

Molecular Formula

SMILES

C1C(C1Cl)CO

InChI

InChI=1S/C4H7ClO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2

InChIKey

FXUQPSPDDULYHZ-UHFFFAOYSA-N

Compound name

(2-chlorocyclopropyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 106.01854 Da
Monoisotopic Mass: 0.6
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]+	107.02582	114.6
[M+Na]+	129.00776	125.5
[M-H]-	105.01126	118.3
[M+NH4]+	124.05236	133.2
[M+K]+	144.98170	122.2
[M+H-H2O]+	89.015800	110.7
[M+HCOO]-	151.01674	133.7
[M+CH3COO]-	165.03239	168.0
[M+Na-2H]-	126.99321	121.9
[M]+	106.01799	117.8
[M]-	106.01909	117.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.