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]+ 155.14305 132.8
[M+Na]+ 177.12499 139.8
[M-H]- 153.12849 136.4
[M+NH4]+ 172.16959 158.0
[M+K]+ 193.09893 138.9
[M+H-H2O]+ 137.13303 129.2
[M+HCOO]- 199.13397 153.1
[M+CH3COO]- 213.14962 177.1
[M+Na-2H]- 175.11044 139.3
[M]+ 154.13522 130.6
[M]- 154.13632 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