CID 12453925

3-methyloct-2-en-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CCCCC/C(=C/CO)/C
InChI
InChI=1S/C9H18O/c1-3-4-5-6-9(2)7-8-10/h7,10H,3-6,8H2,1-2H3/b9-7+
InChIKey
NPMCAXBLYVUWTC-VQHVLOKHSA-N
Compound name
(E)-3-methyloct-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

142.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 135.5
[M+Na]+ 165.124988 141.3
[M-H]- 141.128494 134.1
[M+NH4]+ 160.169593 156.7
[M+K]+ 181.098928 139.7
[M+H-H2O]+ 125.133030 131.1
[M+HCOO]- 187.133971 156.3
[M+CH3COO]- 201.149621 174.8
[M+Na-2H]- 163.110436 139.3
[M]+ 142.13522142 136.1
[M]- 142.13631858 136.1
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