CID 12611807

2-(2,2-dimethyloxan-4-yl)acetaldehyde

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1(CC(CCO1)CC=O)C
InChI
InChI=1S/C9H16O2/c1-9(2)7-8(3-5-10)4-6-11-9/h5,8H,3-4,6-7H2,1-2H3
InChIKey
YDYVEXLFPHSGMC-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyloxan-4-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

156.11504 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 132.6
[M+Na]+ 179.104258 139.1
[M-H]- 155.107764 136.6
[M+NH4]+ 174.148863 154.4
[M+K]+ 195.078198 139.6
[M+H-H2O]+ 139.112300 128.1
[M+HCOO]- 201.113241 152.6
[M+CH3COO]- 215.128891 176.2
[M+Na-2H]- 177.089706 139.5
[M]+ 156.11449142 131.8
[M]- 156.11558858 131.8
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