CID 106807

4-hexen-3-ol, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

Structural Information

Molecular Formula
C14H24O
SMILES
CCC(C=CCC1CC=C(C1(C)C)C)O
InChI
InChI=1S/C14H24O/c1-5-13(15)8-6-7-12-10-9-11(2)14(12,3)4/h6,8-9,12-13,15H,5,7,10H2,1-4H3
InChIKey
RHQDMXYIGACKOH-UHFFFAOYSA-N
Compound name
6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

208.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 151.5
[M+Na]+ 231.17193 158.2
[M-H]- 207.17543 153.5
[M+NH4]+ 226.21653 174.1
[M+K]+ 247.14587 155.0
[M+H-H2O]+ 191.17997 147.4
[M+HCOO]- 253.18091 171.6
[M+CH3COO]- 267.19656 187.4
[M+Na-2H]- 229.15738 152.0
[M]+ 208.18216 151.6
[M]- 208.18326 151.6
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