CID 6096

61-70-1

Structural Information

Molecular Formula
C9H9NO
SMILES
CN1C(=O)CC2=CC=CC=C21
InChI
InChI=1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3
InChIKey
RSQUAQMIGSMNNE-UHFFFAOYSA-N
Compound name
1-methyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1342
Patents

147.06842 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 127.6
[M+Na]+ 170.057638 137.6
[M-H]- 146.061144 131.3
[M+NH4]+ 165.102243 151.0
[M+K]+ 186.031578 135.1
[M+H-H2O]+ 130.065680 122.0
[M+HCOO]- 192.066621 150.6
[M+CH3COO]- 206.082271 175.1
[M+Na-2H]- 168.043086 134.1
[M]+ 147.06787142 127.7
[M]- 147.06896858 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe