CID 3015762

1-undecen-3-ol

Structural Information

Molecular Formula
C11H22O
SMILES
CCCCCCCCC(C=C)O
InChI
InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h4,11-12H,2-3,5-10H2,1H3
InChIKey
NAOMHUDQUVEWEF-UHFFFAOYSA-N
Compound name
undec-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

27
Patents

170.16707 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 144.6
[M+Na]+ 193.15629 149.4
[M-H]- 169.15979 142.7
[M+NH4]+ 188.20089 164.5
[M+K]+ 209.13023 147.3
[M+H-H2O]+ 153.16433 139.7
[M+HCOO]- 215.16527 164.7
[M+CH3COO]- 229.18092 181.6
[M+Na-2H]- 191.14174 147.2
[M]+ 170.16652 145.9
[M]- 170.16762 145.9
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