CID 112218

68975-77-9

Structural Information

Molecular Formula
C13H20O
SMILES
CCC(C(=CC1CC2CC1C=C2)C)O
InChI
InChI=1S/C13H20O/c1-3-13(14)9(2)6-12-8-10-4-5-11(12)7-10/h4-6,10-14H,3,7-8H2,1-2H3
InChIKey
JSPADDRGYBHRBS-UHFFFAOYSA-N
Compound name
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 151.2
[M+Na]+ 215.14063 156.7
[M-H]- 191.14413 152.4
[M+NH4]+ 210.18523 175.3
[M+K]+ 231.11457 153.7
[M+H-H2O]+ 175.14867 147.0
[M+HCOO]- 237.14961 169.5
[M+CH3COO]- 251.16526 183.9
[M+Na-2H]- 213.12608 150.7
[M]+ 192.15086 149.7
[M]- 192.15196 149.7
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.