CID 109264

1-penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

Structural Information

Molecular Formula
C14H24O
SMILES
CCC(C=CC1=C(CCCC1(C)C)C)O
InChI
InChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,12,15H,5-7,10H2,1-4H3
InChIKey
DZSNHSUUMHDJRJ-UHFFFAOYSA-N
Compound name
1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

19
Patents

208.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.189986 150.7
[M+Na]+ 231.171928 156.5
[M-H]- 207.175434 152.5
[M+NH4]+ 226.216533 171.5
[M+K]+ 247.145868 153.6
[M+H-H2O]+ 191.179970 146.2
[M+HCOO]- 253.180911 168.6
[M+CH3COO]- 267.196561 187.7
[M+Na-2H]- 229.157376 152.4
[M]+ 208.18216142 148.8
[M]- 208.18325858 148.8
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

patents stripe