CID 13192441

1,2-dehydro-alpha-cyperone

Structural Information

Molecular Formula
C15H20O
SMILES
CC1=C2CC(CCC2(C=CC1=O)C)C(=C)C
InChI
InChI=1S/C15H20O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h6,8,12H,1,5,7,9H2,2-4H3
InChIKey
YFZICPBAKZACEG-UHFFFAOYSA-N
Compound name
1,4a-dimethyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

216.15141 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 148.5
[M+Na]+ 239.14063 155.8
[M-H]- 215.14413 152.8
[M+NH4]+ 234.18523 170.6
[M+K]+ 255.11457 152.4
[M+H-H2O]+ 199.14867 143.4
[M+HCOO]- 261.14961 166.2
[M+CH3COO]- 275.16526 192.1
[M+Na-2H]- 237.12608 151.7
[M]+ 216.15086 145.8
[M]- 216.15196 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe