CID 121175

Benz(cd)indol-2(1h)-one, 1-methyl-

Structural Information

Molecular Formula
C12H9NO
SMILES
CN1C2=CC=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C12H9NO/c1-13-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14/h2-7H,1H3
InChIKey
SQEZXFSADTVEQB-UHFFFAOYSA-N
Compound name
1-methylbenzo[cd]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

183.06842 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07570 136.7
[M+Na]+ 206.05764 147.7
[M-H]- 182.06114 141.0
[M+NH4]+ 201.10224 160.0
[M+K]+ 222.03158 143.7
[M+H-H2O]+ 166.06568 130.7
[M+HCOO]- 228.06662 158.6
[M+CH3COO]- 242.08227 151.2
[M+Na-2H]- 204.04309 144.2
[M]+ 183.06787 138.9
[M]- 183.06897 138.9
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