CID 5366246

(z)-2-methyloct-3-en-2-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CCCC/C=C\C(C)(C)O
InChI
InChI=1S/C9H18O/c1-4-5-6-7-8-9(2,3)10/h7-8,10H,4-6H2,1-3H3/b8-7-
InChIKey
ACFQKNIZLQUKQA-FPLPWBNLSA-N
Compound name
(Z)-2-methyloct-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

142.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 134.9
[M+Na]+ 165.124988 141.4
[M-H]- 141.128494 133.7
[M+NH4]+ 160.169593 156.2
[M+K]+ 181.098928 139.7
[M+H-H2O]+ 125.133030 131.1
[M+HCOO]- 187.133971 155.1
[M+CH3COO]- 201.149621 174.3
[M+Na-2H]- 163.110436 140.6
[M]+ 142.13522142 135.6
[M]- 142.13631858 135.6
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

No patent data available for this compound.