CID 139595748

Ns00065773

Structural Information

Molecular Formula
C14H20O
SMILES
CC1=CC2C3CCC(C3)C2C1(C)C(=O)C
InChI
InChI=1S/C14H20O/c1-8-6-12-10-4-5-11(7-10)13(12)14(8,3)9(2)15/h6,10-13H,4-5,7H2,1-3H3
InChIKey
KIQFRSHDORGMDP-UHFFFAOYSA-N
Compound name
1-(3,4-dimethyl-3-tricyclo[5.2.1.02,6]dec-4-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 152.8
[M+Na]+ 227.140628 161.5
[M-H]- 203.144134 157.2
[M+NH4]+ 222.185233 182.1
[M+K]+ 243.114568 157.9
[M+H-H2O]+ 187.148670 150.2
[M+HCOO]- 249.149611 172.3
[M+CH3COO]- 263.165261 189.7
[M+Na-2H]- 225.126076 152.5
[M]+ 204.15086142 153.3
[M]- 204.15195858 153.3
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.