CID 87279133

2,2-dimethyl-3-(oxolan-3-yl)propanal

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)(CC1CCOC1)C=O
InChI
InChI=1S/C9H16O2/c1-9(2,7-10)5-8-3-4-11-6-8/h7-8H,3-6H2,1-2H3
InChIKey
LMGNQORXOKHPEM-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-(oxolan-3-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

156.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 134.7
[M+Na]+ 179.10426 140.7
[M-H]- 155.10776 138.4
[M+NH4]+ 174.14886 156.1
[M+K]+ 195.07820 141.2
[M+H-H2O]+ 139.11230 130.3
[M+HCOO]- 201.11324 155.3
[M+CH3COO]- 215.12889 175.6
[M+Na-2H]- 177.08971 140.5
[M]+ 156.11449 134.8
[M]- 156.11559 134.8
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