CID 102701

3,3,5-trimethylcyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C10H18O
SMILES
CC1CC(CC(C1)(C)C)C=O
InChI
InChI=1S/C10H18O/c1-8-4-9(7-11)6-10(2,3)5-8/h7-9H,4-6H2,1-3H3
InChIKey
XOKRGEQPFOCUDY-UHFFFAOYSA-N
Compound name
3,3,5-trimethylcyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 133.1
[M+Na]+ 177.124988 140.1
[M-H]- 153.128494 136.7
[M+NH4]+ 172.169593 156.7
[M+K]+ 193.098928 139.0
[M+H-H2O]+ 137.133030 129.0
[M+HCOO]- 199.133971 153.5
[M+CH3COO]- 213.149621 178.4
[M+Na-2H]- 175.110436 137.8
[M]+ 154.13522142 130.9
[M]- 154.13631858 130.9
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