CID 111069

Xopzrhlppjyqqi-uhfffaoysa-n

Structural Information

Molecular Formula
C14H22O
SMILES
CC(=CC=C1C2CCC(C2)C1(C)C)CO
InChI
InChI=1S/C14H22O/c1-10(9-15)4-7-13-11-5-6-12(8-11)14(13,2)3/h4,7,11-12,15H,5-6,8-9H2,1-3H3
InChIKey
XOPZRHLPPJYQQI-UHFFFAOYSA-N
Compound name
4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)-2-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 154.2
[M+Na]+ 229.156288 160.9
[M-H]- 205.159794 155.5
[M+NH4]+ 224.200893 180.1
[M+K]+ 245.130228 156.6
[M+H-H2O]+ 189.164330 151.0
[M+HCOO]- 251.165271 171.8
[M+CH3COO]- 265.180921 185.6
[M+Na-2H]- 227.141736 154.1
[M]+ 206.16652142 152.1
[M]- 206.16761858 152.1
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.