CID 44149490

Alpha,2,2,3-tetramethylcyclopentanebutyraldehyde

Structural Information

Molecular Formula
C13H24O
SMILES
CC1CCC(C1(C)C)CCC(C)C=O
InChI
InChI=1S/C13H24O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h9-12H,5-8H2,1-4H3
InChIKey
GUYGVAVSYCHUCB-UHFFFAOYSA-N
Compound name
2-methyl-4-(2,2,3-trimethylcyclopentyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 147.6
[M+Na]+ 219.171928 154.0
[M-H]- 195.175434 150.9
[M+NH4]+ 214.216533 171.3
[M+K]+ 235.145868 152.3
[M+H-H2O]+ 179.179970 143.5
[M+HCOO]- 241.180911 168.1
[M+CH3COO]- 255.196561 188.1
[M+Na-2H]- 217.157376 148.3
[M]+ 196.18216142 147.9
[M]- 196.18325858 147.9
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