CID 12420321

2,6,6-trimethyl-1-[1-hydroxy-3-butenyl]-1-cyclohexene

Structural Information

Molecular Formula
C13H22O
SMILES
CC1=C(C(CCC1)(C)C)C(CC=C)O
InChI
InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,11,14H,1,6-9H2,2-4H3
InChIKey
MFPWQOYFKZHQKE-UHFFFAOYSA-N
Compound name
1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

194.16707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 145.9
[M+Na]+ 217.15629 152.0
[M-H]- 193.15979 147.9
[M+NH4]+ 212.20089 167.2
[M+K]+ 233.13023 149.4
[M+H-H2O]+ 177.16433 141.6
[M+HCOO]- 239.16527 164.2
[M+CH3COO]- 253.18092 185.3
[M+Na-2H]- 215.14174 148.2
[M]+ 194.16652 143.7
[M]- 194.16762 143.7
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

patents stripe