CID 84336

Dicyclopropylmethanol

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1CC1C(C2CC2)O

InChI

InChI=1S/C7H12O/c8-7(5-1-2-5)6-3-4-6/h5-8H,1-4H2

InChIKey

PIXLZMHERIHLJL-UHFFFAOYSA-N

Compound name

dicyclopropylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 227
Patents: 112.08881 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]+	113.09609	130.6
[M+Na]+	135.07803	137.7
[M-H]-	111.08153	136.9
[M+NH4]+	130.12263	141.1
[M+K]+	151.05197	136.7
[M+H-H2O]+	95.086070	125.2
[M+HCOO]-	157.08701	149.9
[M+CH3COO]-	171.10266	182.4
[M+Na-2H]-	133.06348	134.7
[M]+	112.08826	132.6
[M]-	112.08936	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe