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]+ 293.11723 167.2
[M+Na]+ 315.09917 176.1
[M-H]- 291.10267 175.4
[M+NH4]+ 310.14377 185.8
[M+K]+ 331.07311 171.3
[M+H-H2O]+ 275.10721 160.5
[M+HCOO]- 337.10815 189.3
[M+CH3COO]- 351.12380 202.8
[M+Na-2H]- 313.08462 168.2
[M]+ 292.10940 169.1
[M]- 292.11050 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.