CID 167717438

2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde

Structural Information

Molecular Formula
C11H20O2
SMILES
CC1(CC(CC(O1)(C)C)CC=O)C
InChI
InChI=1S/C11H20O2/c1-10(2)7-9(5-6-12)8-11(3,4)13-10/h6,9H,5,7-8H2,1-4H3
InChIKey
QSCZTVSUKGKEQB-UHFFFAOYSA-N
Compound name
2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 138.0
[M+Na]+ 207.13555 145.5
[M-H]- 183.13905 142.4
[M+NH4]+ 202.18015 161.1
[M+K]+ 223.10949 146.0
[M+H-H2O]+ 167.14359 134.4
[M+HCOO]- 229.14453 157.4
[M+CH3COO]- 243.16018 183.2
[M+Na-2H]- 205.12100 144.7
[M]+ 184.14578 138.7
[M]- 184.14688 138.7
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.