CID 85712

2-methyl-6-methyleneoct-7-en-4-ol

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)CC(CC(=C)C=C)O
InChI
InChI=1S/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8,10-11H,1,4,6-7H2,2-3H3
InChIKey
RHAXCOKCIAVHPB-UHFFFAOYSA-N
Compound name
2-methyl-6-methylideneoct-7-en-4-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

4142
Patents

154.13577 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 138.5
[M+Na]+ 177.12499 143.6
[M-H]- 153.12849 137.0
[M+NH4]+ 172.16959 158.9
[M+K]+ 193.09893 142.1
[M+H-H2O]+ 137.13303 134.1
[M+HCOO]- 199.13397 157.2
[M+CH3COO]- 213.14962 179.3
[M+Na-2H]- 175.11044 139.3
[M]+ 154.13522 137.5
[M]- 154.13632 137.5
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