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

0
Patents

170.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 144.8
[M+Na]+ 193.156288 149.7
[M-H]- 169.159794 142.9
[M+NH4]+ 188.200893 164.8
[M+K]+ 209.130228 147.6
[M+H-H2O]+ 153.164330 139.9
[M+HCOO]- 215.165271 164.9
[M+CH3COO]- 229.180921 180.9
[M+Na-2H]- 191.141736 147.4
[M]+ 170.16652142 146.1
[M]- 170.16761858 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