CID 62126

Dehydrodihydroionol

Structural Information

Molecular Formula
C13H22O
SMILES
CC1=C(C(CC=C1)(C)C)CCC(C)O
InChI
InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,11,14H,7-9H2,1-4H3
InChIKey
WPGXAVCJKGSOBD-UHFFFAOYSA-N
Compound name
4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

34
Patents

194.16707 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 145.6
[M+Na]+ 217.156288 152.4
[M-H]- 193.159794 148.0
[M+NH4]+ 212.200893 167.0
[M+K]+ 233.130228 150.2
[M+H-H2O]+ 177.164330 141.1
[M+HCOO]- 239.165271 165.2
[M+CH3COO]- 253.180921 185.8
[M+Na-2H]- 215.141736 148.9
[M]+ 194.16652142 145.6
[M]- 194.16761858 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe