CID 58424487

2,2,6,6-tetramethyloxane-4-carbaldehyde

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1(CC(CC(O1)(C)C)C=O)C
InChI
InChI=1S/C10H18O2/c1-9(2)5-8(7-11)6-10(3,4)12-9/h7-8H,5-6H2,1-4H3
InChIKey
POPIGHUDRUZIMG-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethyloxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

170.13068 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 133.4
[M+Na]+ 193.11990 141.4
[M-H]- 169.12340 138.1
[M+NH4]+ 188.16450 157.1
[M+K]+ 209.09384 142.1
[M+H-H2O]+ 153.12794 130.1
[M+HCOO]- 215.12888 153.1
[M+CH3COO]- 229.14453 180.2
[M+Na-2H]- 191.10535 140.7
[M]+ 170.13013 133.8
[M]- 170.13123 133.8
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