CID 32837

4-methylhepta-1,6-dien-4-ol

Structural Information

Molecular Formula
C8H14O
SMILES
CC(CC=C)(CC=C)O
InChI
InChI=1S/C8H14O/c1-4-6-8(3,9)7-5-2/h4-5,9H,1-2,6-7H2,3H3
InChIKey
WAXJJHZQRWWQIR-UHFFFAOYSA-N
Compound name
4-methylhepta-1,6-dien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

126.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 128.4
[M+Na]+ 149.09368 135.5
[M-H]- 125.09718 127.3
[M+NH4]+ 144.13828 150.2
[M+K]+ 165.06762 133.5
[M+H-H2O]+ 109.10172 124.8
[M+HCOO]- 171.10266 149.2
[M+CH3COO]- 185.11831 171.0
[M+Na-2H]- 147.07913 134.7
[M]+ 126.10391 128.1
[M]- 126.10501 128.1
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