CID 10240821

2,2-dimethylhex-5-en-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC(C)(CCC=C)CO
InChI
InChI=1S/C8H16O/c1-4-5-6-8(2,3)7-9/h4,9H,1,5-7H2,2-3H3
InChIKey
WIYYDFSDWKBPIX-UHFFFAOYSA-N
Compound name
2,2-dimethylhex-5-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

128.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 130.0
[M+Na]+ 151.109338 136.8
[M-H]- 127.112844 129.0
[M+NH4]+ 146.153943 151.9
[M+K]+ 167.083278 135.5
[M+H-H2O]+ 111.117380 126.4
[M+HCOO]- 173.118321 150.6
[M+CH3COO]- 187.133971 171.9
[M+Na-2H]- 149.094786 136.3
[M]+ 128.11957142 130.5
[M]- 128.12066858 130.5
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