CID 6428572

3-methyldec-4-en-1-ol

Structural Information

Molecular Formula
C11H22O
SMILES
CCCCC/C=C/C(C)CCO
InChI
InChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+
InChIKey
JDCKKTBNCHNHRR-BQYQJAHWSA-N
Compound name
(E)-3-methyldec-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

170.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 144.8
[M+Na]+ 193.15629 149.7
[M-H]- 169.15979 142.9
[M+NH4]+ 188.20089 164.8
[M+K]+ 209.13023 147.6
[M+H-H2O]+ 153.16433 139.9
[M+HCOO]- 215.16527 164.9
[M+CH3COO]- 229.18092 180.9
[M+Na-2H]- 191.14174 147.4
[M]+ 170.16652 146.1
[M]- 170.16762 146.1
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