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]+ 185.153606 138.0
[M+Na]+ 207.135548 145.5
[M-H]- 183.139054 142.4
[M+NH4]+ 202.180153 161.1
[M+K]+ 223.109488 146.0
[M+H-H2O]+ 167.143590 134.4
[M+HCOO]- 229.144531 157.4
[M+CH3COO]- 243.160181 183.2
[M+Na-2H]- 205.120996 144.7
[M]+ 184.14578142 138.7
[M]- 184.14687858 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.