CID 499648

Nsc693150

Structural Information

Molecular Formula
C20H17O
SMILES
CC(=O)[C]1[CH][CH][C]([CH]1)CC=C([C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3
InChI
InChI=1S/C20H17O/c1-15(21)19-12-10-16(14-19)11-13-20(17-6-2-3-7-17)18-8-4-5-9-18/h2-10,12-14H,11H2,1H3
InChIKey
LNKAXROHUBNRPO-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.12793 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13521 179.0
[M+Na]+ 296.11715 178.8
[M-H]- 272.12065 186.7
[M+NH4]+ 291.16175 198.8
[M+K]+ 312.09109 175.4
[M+H-H2O]+ 256.12519 172.5
[M+HCOO]- 318.12613 195.0
[M+CH3COO]- 332.14178 200.6
[M+Na-2H]- 294.10260 169.6
[M]+ 273.12738 170.5
[M]- 273.12848 170.5
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.