CID 106967

67923-53-9

Structural Information

Molecular Formula
C13H22O
SMILES
CC1CC(=CC(C1C=CC(C)O)C)C
InChI
InChI=1S/C13H22O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h5-7,10-14H,8H2,1-4H3
InChIKey
WQTLBWPUJXRBIN-UHFFFAOYSA-N
Compound name
4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.16707 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 146.5
[M+Na]+ 217.156288 152.8
[M-H]- 193.159794 148.6
[M+NH4]+ 212.200893 166.1
[M+K]+ 233.130228 149.9
[M+H-H2O]+ 177.164330 141.6
[M+HCOO]- 239.165271 164.8
[M+CH3COO]- 253.180921 186.3
[M+Na-2H]- 215.141736 147.0
[M]+ 194.16652142 144.4
[M]- 194.16761858 144.4
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