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
2
Annotation Hits

0
References

1823
Patents

192.15141 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 145.4
[M+Na]+ 215.14063 157.4
[M+NH4]+ 210.18523 156.8
[M+K]+ 231.11457 147.7
[M-H]- 191.14413 148.6
[M+Na-2H]- 213.12608 151.6
[M]+ 192.15086 148.2
[M]- 192.15196 148.2
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