CID 44148934

94231-54-6

Structural Information

Molecular Formula
C14H20O
SMILES
CC(CC1=CC2CC1C3C2CCC3)C=O
InChI
InChI=1S/C14H20O/c1-9(8-15)5-10-6-11-7-14(10)13-4-2-3-12(11)13/h6,8-9,11-14H,2-5,7H2,1H3
InChIKey
MYGSQSSMAQWWNN-UHFFFAOYSA-N
Compound name
2-methyl-3-(8-tricyclo[5.2.1.02,6]dec-8-enyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 154.3
[M+Na]+ 227.140628 161.0
[M-H]- 203.144134 158.0
[M+NH4]+ 222.185233 181.2
[M+K]+ 243.114568 157.8
[M+H-H2O]+ 187.148670 150.7
[M+HCOO]- 249.149611 173.8
[M+CH3COO]- 263.165261 189.1
[M+Na-2H]- 225.126076 153.3
[M]+ 204.15086142 154.2
[M]- 204.15195858 154.2
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

No patent data available for this compound.