CID 132398474

2-methyl-2-(oxolan-2-yl)propanal

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)(C=O)C1CCCO1
InChI
InChI=1S/C8H14O2/c1-8(2,6-9)7-4-3-5-10-7/h6-7H,3-5H2,1-2H3
InChIKey
LTENJJTXSIUPBX-UHFFFAOYSA-N
Compound name
2-methyl-2-(oxolan-2-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.0
[M+Na]+ 165.08860 136.4
[M-H]- 141.09210 133.8
[M+NH4]+ 160.13320 151.9
[M+K]+ 181.06254 137.2
[M+H-H2O]+ 125.09664 125.7
[M+HCOO]- 187.09758 150.8
[M+CH3COO]- 201.11323 172.5
[M+Na-2H]- 163.07405 136.3
[M]+ 142.09883 129.7
[M]- 142.09993 129.7
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.