CID 14002350

2-cyclohexyl-2-methylpropanal

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)(C=O)C1CCCCC1
InChI
InChI=1S/C10H18O/c1-10(2,8-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKey
CELVDAZMRZCTTA-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

154.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 135.6
[M+Na]+ 177.12499 140.3
[M-H]- 153.12849 138.3
[M+NH4]+ 172.16959 156.6
[M+K]+ 193.09893 139.2
[M+H-H2O]+ 137.13303 130.7
[M+HCOO]- 199.13397 154.4
[M+CH3COO]- 213.14962 177.0
[M+Na-2H]- 175.11044 141.1
[M]+ 154.13522 131.9
[M]- 154.13632 131.9
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