CID 71540

Dtxsid30984182

Structural Information

Molecular Formula
C14H22O
SMILES
CC(CC(=C1C=CC=C1)O)CC(C)(C)C
InChI
InChI=1S/C14H22O/c1-11(10-14(2,3)4)9-13(15)12-7-5-6-8-12/h5-8,11,15H,9-10H2,1-4H3
InChIKey
NSMARDOBNDRFSF-UHFFFAOYSA-N
Compound name
1-cyclopenta-2,4-dien-1-ylidene-3,5,5-trimethylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

206.16707 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 153.1
[M+Na]+ 229.156288 158.3
[M-H]- 205.159794 154.9
[M+NH4]+ 224.200893 173.4
[M+K]+ 245.130228 155.7
[M+H-H2O]+ 189.164330 148.2
[M+HCOO]- 251.165271 172.1
[M+CH3COO]- 265.180921 185.7
[M+Na-2H]- 227.141736 154.1
[M]+ 206.16652142 152.5
[M]- 206.16761858 152.5
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.