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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 130.6
[M+Na]+ 161.093678 137.7
[M-H]- 137.097184 132.7
[M+NH4]+ 156.138283 155.3
[M+K]+ 177.067618 135.3
[M+H-H2O]+ 121.101720 126.5
[M+HCOO]- 183.102661 153.4
[M+CH3COO]- 197.118311 169.9
[M+Na-2H]- 159.079126 136.2
[M]+ 138.10391142 128.9
[M]- 138.10500858 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.