CID 10351801

3-methyloct-7-en-2-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(CCCC=C)C(C)O
InChI
InChI=1S/C9H18O/c1-4-5-6-7-8(2)9(3)10/h4,8-10H,1,5-7H2,2-3H3
InChIKey
AQKLLSFYOWLPKI-UHFFFAOYSA-N
Compound name
3-methyloct-7-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

142.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 135.6
[M+Na]+ 165.12499 141.1
[M-H]- 141.12849 134.2
[M+NH4]+ 160.16959 156.6
[M+K]+ 181.09893 139.9
[M+H-H2O]+ 125.13303 131.2
[M+HCOO]- 187.13397 155.4
[M+CH3COO]- 201.14962 176.4
[M+Na-2H]- 163.11044 138.1
[M]+ 142.13522 135.5
[M]- 142.13632 135.5
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