CID 165779308

4-(3,3-dimethylcyclohexyl)butanal

Structural Information

Molecular Formula
C12H22O
SMILES
CC1(CCCC(C1)CCCC=O)C
InChI
InChI=1S/C12H22O/c1-12(2)8-5-7-11(10-12)6-3-4-9-13/h9,11H,3-8,10H2,1-2H3
InChIKey
VKVKCPNKFOQERZ-UHFFFAOYSA-N
Compound name
4-(3,3-dimethylcyclohexyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 143.6
[M+Na]+ 205.156288 148.8
[M-H]- 181.159794 146.4
[M+NH4]+ 200.200893 165.7
[M+K]+ 221.130228 147.1
[M+H-H2O]+ 165.164330 138.7
[M+HCOO]- 227.165271 163.3
[M+CH3COO]- 241.180921 183.4
[M+Na-2H]- 203.141736 147.7
[M]+ 182.16652142 141.7
[M]- 182.16761858 141.7
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.