CID 97954

2,5-diethyl-3,4-dihydro-2h-pyran-2-carbaldehyde

Structural Information

Molecular Formula
C10H16O2
SMILES
CCC1=COC(CC1)(CC)C=O
InChI
InChI=1S/C10H16O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h7-8H,3-6H2,1-2H3
InChIKey
SQZVYXOKAXPDKY-UHFFFAOYSA-N
Compound name
2,5-diethyl-3,4-dihydropyran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

168.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 135.3
[M+Na]+ 191.104258 142.4
[M-H]- 167.107764 139.5
[M+NH4]+ 186.148863 156.7
[M+K]+ 207.078198 142.5
[M+H-H2O]+ 151.112300 130.6
[M+HCOO]- 213.113241 156.5
[M+CH3COO]- 227.128891 178.8
[M+Na-2H]- 189.089706 142.7
[M]+ 168.11449142 136.3
[M]- 168.11558858 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe