CID 85636407

1,4,4-trimethylcyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C10H18O
SMILES
CC1(CCC(CC1)(C)C=O)C
InChI
InChI=1S/C10H18O/c1-9(2)4-6-10(3,8-11)7-5-9/h8H,4-7H2,1-3H3
InChIKey
HXVIIVYSWHVDGB-UHFFFAOYSA-N
Compound name
1,4,4-trimethylcyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

154.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 132.8
[M+Na]+ 177.124988 139.8
[M-H]- 153.128494 136.4
[M+NH4]+ 172.169593 158.0
[M+K]+ 193.098928 138.9
[M+H-H2O]+ 137.133030 129.2
[M+HCOO]- 199.133971 153.1
[M+CH3COO]- 213.149621 177.1
[M+Na-2H]- 175.110436 139.3
[M]+ 154.13522142 130.6
[M]- 154.13631858 130.6
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