CID 63109963

1344079-05-5

Structural Information

Molecular Formula
C10H6N2O3
SMILES
CN1C(=O)C2=C(C1=O)C=C(C=C2)N=C=O
InChI
InChI=1S/C10H6N2O3/c1-12-9(14)7-3-2-6(11-5-13)4-8(7)10(12)15/h2-4H,1H3
InChIKey
UJPWKJAMPGYUOD-UHFFFAOYSA-N
Compound name
5-isocyanato-2-methylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.03784 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.045116 137.2
[M+Na]+ 225.027058 148.8
[M-H]- 201.030564 142.9
[M+NH4]+ 220.071663 158.9
[M+K]+ 241.000998 146.1
[M+H-H2O]+ 185.035100 131.2
[M+HCOO]- 247.036041 163.3
[M+CH3COO]- 261.051691 188.9
[M+Na-2H]- 223.012506 143.0
[M]+ 202.03729142 140.3
[M]- 202.03838858 140.3
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.