CID 84716620

2-methyl-2-(oxan-2-yl)propanal

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)(C=O)C1CCCCO1
InChI
InChI=1S/C9H16O2/c1-9(2,7-10)8-5-3-4-6-11-8/h7-8H,3-6H2,1-2H3
InChIKey
OQHQZHQRAAQJMN-UHFFFAOYSA-N
Compound name
2-methyl-2-(oxan-2-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 133.7
[M+Na]+ 179.10426 138.8
[M-H]- 155.10776 137.2
[M+NH4]+ 174.14886 153.2
[M+K]+ 195.07820 139.4
[M+H-H2O]+ 139.11230 128.7
[M+HCOO]- 201.11324 152.1
[M+CH3COO]- 215.12889 175.9
[M+Na-2H]- 177.08971 140.8
[M]+ 156.11449 131.7
[M]- 156.11559 131.7
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

No patent data available for this compound.