CID 16063533

3-cyclopentene-1-butanol, beta,2,2,3-tetramethyl-delta-methylene-

Structural Information

Molecular Formula
C14H24O
SMILES
CC1=CCC(C1(C)C)C(=C)CC(C)CO
InChI
InChI=1S/C14H24O/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,10,13,15H,2,7-9H2,1,3-5H3
InChIKey
DGHXZJZALPECTJ-UHFFFAOYSA-N
Compound name
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

233
Patents

208.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 151.3
[M+Na]+ 231.17193 157.7
[M-H]- 207.17543 153.4
[M+NH4]+ 226.21653 173.8
[M+K]+ 247.14587 155.0
[M+H-H2O]+ 191.17997 147.4
[M+HCOO]- 253.18091 170.4
[M+CH3COO]- 267.19656 188.9
[M+Na-2H]- 229.15738 150.7
[M]+ 208.18216 150.9
[M]- 208.18326 150.9
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