CID 89392

2-heptene, 1,1-diethoxy-

Structural Information

Molecular Formula
C11H22O2
SMILES
CCCCC=CC(OCC)OCC
InChI
InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h9-11H,4-8H2,1-3H3
InChIKey
KRGSSSXWOINHKZ-UHFFFAOYSA-N
Compound name
1,1-diethoxyhept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

186.16199 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.16927 147.1
[M+Na]+ 209.15121 152.4
[M-H]- 185.15471 146.6
[M+NH4]+ 204.19581 167.1
[M+K]+ 225.12515 151.7
[M+H-H2O]+ 169.15925 141.7
[M+HCOO]- 231.16019 169.0
[M+CH3COO]- 245.17584 185.5
[M+Na-2H]- 207.13666 150.3
[M]+ 186.16144 151.8
[M]- 186.16254 151.8
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