CID 6310370

Nsc677054

Structural Information

Molecular Formula
C19H16O3
SMILES
CC1=C2C(=CC=C1)C/C(=C/C3=CC=CC=C3C(=O)OC)/C2=O
InChI
InChI=1S/C19H16O3/c1-12-6-5-8-14-11-15(18(20)17(12)14)10-13-7-3-4-9-16(13)19(21)22-2/h3-10H,11H2,1-2H3/b15-10-
InChIKey
SKXZCKXMWMOHDB-GDNBJRDFSA-N
Compound name
methyl 2-[(Z)-(4-methyl-3-oxo-1H-inden-2-ylidene)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.117226 167.2
[M+Na]+ 315.099168 176.1
[M-H]- 291.102674 175.4
[M+NH4]+ 310.143773 185.8
[M+K]+ 331.073108 171.3
[M+H-H2O]+ 275.107210 160.5
[M+HCOO]- 337.108151 189.3
[M+CH3COO]- 351.123801 202.8
[M+Na-2H]- 313.084616 168.2
[M]+ 292.10940142 169.1
[M]- 292.11049858 169.1
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.