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

18
Patents

142.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 135.5
[M+Na]+ 165.12499 141.3
[M-H]- 141.12849 134.1
[M+NH4]+ 160.16959 156.7
[M+K]+ 181.09893 139.7
[M+H-H2O]+ 125.13303 131.1
[M+HCOO]- 187.13397 156.3
[M+CH3COO]- 201.14962 174.8
[M+Na-2H]- 163.11044 139.3
[M]+ 142.13522 136.1
[M]- 142.13632 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