CID 520592

6-hepten-2-ol, 2,6-dimethyl-

Structural Information

Molecular Formula
C9H18O
SMILES
CC(=C)CCCC(C)(C)O
InChI
InChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10/h10H,1,5-7H2,2-4H3
InChIKey
ICHVSYBMEODCOO-UHFFFAOYSA-N
Compound name
2,6-dimethylhept-6-en-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

142.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 134.5
[M+Na]+ 165.124988 140.7
[M-H]- 141.128494 133.4
[M+NH4]+ 160.169593 155.7
[M+K]+ 181.098928 139.5
[M+H-H2O]+ 125.133030 130.8
[M+HCOO]- 187.133971 153.8
[M+CH3COO]- 201.149621 175.8
[M+Na-2H]- 163.110436 139.0
[M]+ 142.13522142 134.7
[M]- 142.13631858 134.7
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