CID 72587101

Elastase

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

C=CC=C1CC(CCC1=C)O

InChI

InChI=1S/C10H14O/c1-3-4-9-7-10(11)6-5-8(9)2/h3-4,10-11H,1-2,5-7H2

InChIKey

NBORKPYNWHIVOO-UHFFFAOYSA-N

Compound name

4-methylidene-3-prop-2-enylidenecyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9232
References: 4
Patents: 150.10446 Da
Monoisotopic Mass: 1.8
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]+	151.11174	132.6
[M+Na]+	173.09368	138.9
[M-H]-	149.09718	134.4
[M+NH4]+	168.13828	153.4
[M+K]+	189.06762	135.3
[M+H-H2O]+	133.10172	128.0
[M+HCOO]-	195.10266	151.8
[M+CH3COO]-	209.11831	173.8
[M+Na-2H]-	171.07913	135.6
[M]+	150.10391	126.7
[M]-	150.10501	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe