CID 6438064

1,1-diethoxy-2-pentene

Structural Information

Molecular Formula
C9H18O2
SMILES
CC/C=C/C(OCC)OCC
InChI
InChI=1S/C9H18O2/c1-4-7-8-9(10-5-2)11-6-3/h7-9H,4-6H2,1-3H3/b8-7+
InChIKey
LMEVRZONMYHVAF-BQYQJAHWSA-N
Compound name
(E)-1,1-diethoxypent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

158.13068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 137.7
[M+Na]+ 181.11990 143.9
[M-H]- 157.12340 137.7
[M+NH4]+ 176.16450 158.9
[M+K]+ 197.09384 143.8
[M+H-H2O]+ 141.12794 132.8
[M+HCOO]- 203.12888 160.3
[M+CH3COO]- 217.14453 179.5
[M+Na-2H]- 179.10535 142.0
[M]+ 158.13013 141.7
[M]- 158.13123 141.7
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