CID 18381973

3-butylhept-2-en-1-ol

Structural Information

Molecular Formula
C11H22O
SMILES
CCCCC(=CCO)CCCC
InChI
InChI=1S/C11H22O/c1-3-5-7-11(9-10-12)8-6-4-2/h9,12H,3-8,10H2,1-2H3
InChIKey
NFFMQABRMIEWOU-UHFFFAOYSA-N
Compound name
3-butylhept-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

170.16707 Da
Monoisotopic Mass

4.1
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

No literature data available for this compound.

Patent stripe

patents stripe