CID 137699043

2003969-29-5

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C=CCC1(CC=CC1)CO

InChI

InChI=1S/C9H14O/c1-2-5-9(8-10)6-3-4-7-9/h2-4,10H,1,5-8H2

InChIKey

PTRSOSBPDGBOTL-UHFFFAOYSA-N

Compound name

(1-prop-2-enylcyclopent-3-en-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.10446 Da
Monoisotopic Mass: 1.9
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]+	139.11174	131.6
[M+Na]+	161.09368	141.8
[M+NH4]+	156.13828	141.7
[M+K]+	177.06762	135.2
[M-H]-	137.09718	132.7
[M+Na-2H]-	159.07913	137.9
[M]+	138.10391	133.3
[M]-	138.10501	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.