CID 63109963

5-isocyanato-2-methyl-2,3-dihydro-1h-isoindole-1,3-dione

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]+ 203.04512 137.2
[M+Na]+ 225.02706 148.8
[M-H]- 201.03056 142.9
[M+NH4]+ 220.07166 158.9
[M+K]+ 241.00100 146.1
[M+H-H2O]+ 185.03510 131.2
[M+HCOO]- 247.03604 163.3
[M+CH3COO]- 261.05169 188.9
[M+Na-2H]- 223.01251 143.0
[M]+ 202.03729 140.3
[M]- 202.03839 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.