CID 122240130

2-methyl-2-(oxan-4-yl)propanal

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)(C=O)C1CCOCC1
InChI
InChI=1S/C9H16O2/c1-9(2,7-10)8-3-5-11-6-4-8/h7-8H,3-6H2,1-2H3
InChIKey
BPEFDTWSZKRQHC-UHFFFAOYSA-N
Compound name
2-methyl-2-(oxan-4-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

156.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 133.7
[M+Na]+ 179.104258 138.8
[M-H]- 155.107764 137.2
[M+NH4]+ 174.148863 153.2
[M+K]+ 195.078198 139.4
[M+H-H2O]+ 139.112300 128.7
[M+HCOO]- 201.113241 152.1
[M+CH3COO]- 215.128891 175.9
[M+Na-2H]- 177.089706 140.8
[M]+ 156.11449142 131.7
[M]- 156.11558858 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

patents stripe