CID 6436386

(z)-1,1-diethoxytridec-2-ene

Structural Information

Molecular Formula
C17H34O2
SMILES
CCCCCCCCCC/C=C\C(OCC)OCC
InChI
InChI=1S/C17H34O2/c1-4-7-8-9-10-11-12-13-14-15-16-17(18-5-2)19-6-3/h15-17H,4-14H2,1-3H3/b16-15-
InChIKey
DYLMMQAVDJNRKJ-NXVVXOECSA-N
Compound name
(Z)-1,1-diethoxytridec-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.2559 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.263176 174.7
[M+Na]+ 293.245118 177.5
[M-H]- 269.248624 173.0
[M+NH4]+ 288.289723 191.3
[M+K]+ 309.219058 175.2
[M+H-H2O]+ 253.253160 168.1
[M+HCOO]- 315.254101 194.5
[M+CH3COO]- 329.269751 203.5
[M+Na-2H]- 291.230566 174.6
[M]+ 270.25535142 181.6
[M]- 270.25644858 181.6
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.