CID 135522218

2-indolinone, 3-(methylimino)-

Structural Information

Molecular Formula
C9H8N2O
SMILES
CN=C1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C9H8N2O/c1-10-8-6-4-2-3-5-7(6)11-9(8)12/h2-5H,1H3,(H,10,11,12)
InChIKey
SWTVGPCFAKJHDN-UHFFFAOYSA-N
Compound name
3-methylimino-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

160.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.5
[M+Na]+ 183.052878 139.9
[M-H]- 159.056384 134.2
[M+NH4]+ 178.097483 152.9
[M+K]+ 199.026818 136.7
[M+H-H2O]+ 143.060920 124.5
[M+HCOO]- 205.061861 154.7
[M+CH3COO]- 219.077511 178.3
[M+Na-2H]- 181.038326 137.5
[M]+ 160.06311142 129.0
[M]- 160.06420858 129.0
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