CID 109323

2,3,5,5-tetramethylhexanal

Structural Information

Molecular Formula
C10H20O
SMILES
CC(CC(C)(C)C)C(C)C=O
InChI
InChI=1S/C10H20O/c1-8(9(2)7-11)6-10(3,4)5/h7-9H,6H2,1-5H3
InChIKey
COJYJCJUBHUSDJ-UHFFFAOYSA-N
Compound name
2,3,5,5-tetramethylhexanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

151
Patents

156.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 137.9
[M+Na]+ 179.140628 144.0
[M-H]- 155.144134 138.2
[M+NH4]+ 174.185233 159.4
[M+K]+ 195.114568 144.0
[M+H-H2O]+ 139.148670 133.9
[M+HCOO]- 201.149611 157.4
[M+CH3COO]- 215.165261 181.7
[M+Na-2H]- 177.126076 141.2
[M]+ 156.15086142 139.7
[M]- 156.15195858 139.7
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