CID 130680455

1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1(CCCC(C1)(C=O)OC)C
InChI
InChI=1S/C10H18O2/c1-9(2)5-4-6-10(7-9,8-11)12-3/h8H,4-7H2,1-3H3
InChIKey
DMSAWSKPFZVNDU-UHFFFAOYSA-N
Compound name
1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 136.1
[M+Na]+ 193.11990 143.1
[M-H]- 169.12340 139.7
[M+NH4]+ 188.16450 160.7
[M+K]+ 209.09384 142.7
[M+H-H2O]+ 153.12794 132.4
[M+HCOO]- 215.12888 156.7
[M+CH3COO]- 229.14453 179.1
[M+Na-2H]- 191.10535 142.7
[M]+ 170.13013 135.5
[M]- 170.13123 135.5
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.