CID 100197

3,3,6-trimethylhepta-1,5-dien-4-ol

Structural Information

Molecular Formula
C10H18O
SMILES
CC(=CC(C(C)(C)C=C)O)C
InChI
InChI=1S/C10H18O/c1-6-10(4,5)9(11)7-8(2)3/h6-7,9,11H,1H2,2-5H3
InChIKey
WPPVSYVQAKQNJK-UHFFFAOYSA-N
Compound name
3,3,6-trimethylhepta-1,5-dien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

154.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 137.2
[M+Na]+ 177.124988 143.1
[M-H]- 153.128494 136.0
[M+NH4]+ 172.169593 157.9
[M+K]+ 193.098928 141.6
[M+H-H2O]+ 137.133030 133.5
[M+HCOO]- 199.133971 155.4
[M+CH3COO]- 213.149621 178.0
[M+Na-2H]- 175.110436 140.0
[M]+ 154.13522142 136.3
[M]- 154.13631858 136.3
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