CID 21160308

Wohmrhqzsgwkod-uhfffaoysa-n

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCCCC(=O)OC(=C)CC
InChI
InChI=1S/C10H18O2/c1-4-6-7-8-10(11)12-9(3)5-2/h3-8H2,1-2H3
InChIKey
WOHMRHQZSGWKOD-UHFFFAOYSA-N
Compound name
but-1-en-2-yl hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 140.9
[M+Na]+ 193.119898 146.8
[M-H]- 169.123404 140.8
[M+NH4]+ 188.164503 161.5
[M+K]+ 209.093838 146.2
[M+H-H2O]+ 153.127940 136.0
[M+HCOO]- 215.128881 162.4
[M+CH3COO]- 229.144531 182.4
[M+Na-2H]- 191.105346 143.5
[M]+ 170.13013142 143.9
[M]- 170.13122858 143.9
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

No patent data available for this compound.