CID 112226

Cyclomugual

Structural Information

Molecular Formula
C13H20O
SMILES
CC1(CCCC2=C1CC(CC2)C=O)C
InChI
InChI=1S/C13H20O/c1-13(2)7-3-4-11-6-5-10(9-14)8-12(11)13/h9-10H,3-8H2,1-2H3
InChIKey
AQJANVUPNABWRU-UHFFFAOYSA-N
Compound name
8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1740
Patents

192.15141 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.158686 143.9
[M+Na]+ 215.140628 150.1
[M-H]- 191.144134 147.7
[M+NH4]+ 210.185233 166.7
[M+K]+ 231.114568 147.4
[M+H-H2O]+ 175.148670 138.6
[M+HCOO]- 237.149611 161.7
[M+CH3COO]- 251.165261 185.2
[M+Na-2H]- 213.126076 148.9
[M]+ 192.15086142 140.0
[M]- 192.15195858 140.0
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