CID 101519

Myomontanone

Structural Information

Molecular Formula
C15H20O2
SMILES
C[C@H]1CC(=C(C1)C(=O)C2=COC=C2)CC(C)C
InChI
InChI=1S/C15H20O2/c1-10(2)6-13-7-11(3)8-14(13)15(16)12-4-5-17-9-12/h4-5,9-11H,6-8H2,1-3H3/t11-/m0/s1
InChIKey
ROMXQUBLTVIACV-NSHDSACASA-N
Compound name
furan-3-yl-[(4S)-4-methyl-2-(2-methylpropyl)cyclopenten-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 156.4
[M+Na]+ 255.13555 162.9
[M-H]- 231.13905 163.9
[M+NH4]+ 250.18015 176.6
[M+K]+ 271.10949 161.8
[M+H-H2O]+ 215.14359 151.1
[M+HCOO]- 277.14453 178.2
[M+CH3COO]- 291.16018 192.8
[M+Na-2H]- 253.12100 155.2
[M]+ 232.14578 158.3
[M]- 232.14688 158.3
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

No patent data available for this compound.