CID 10330854

62855-40-7

Structural Information

Molecular Formula
C13H10O3
SMILES
COC(=O)C1=CC=C(C2=CC=CC=C21)C=O
InChI
InChI=1S/C13H10O3/c1-16-13(15)12-7-6-9(8-14)10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKey
RQODTKJVTXOAHI-UHFFFAOYSA-N
Compound name
methyl 4-formylnaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

214.06299 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07027 143.1
[M+Na]+ 237.05221 152.3
[M-H]- 213.05571 148.1
[M+NH4]+ 232.09681 163.0
[M+K]+ 253.02615 149.7
[M+H-H2O]+ 197.06025 136.9
[M+HCOO]- 259.06119 166.3
[M+CH3COO]- 273.07684 187.7
[M+Na-2H]- 235.03766 149.9
[M]+ 214.06244 146.2
[M]- 214.06354 146.2
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

patents stripe