CID 154700052

Ns00117762

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC(=O)N1CCC2=C1NC3=C2C=C(C=C3)O
InChI
InChI=1S/C12H12N2O2/c1-7(15)14-5-4-9-10-6-8(16)2-3-11(10)13-12(9)14/h2-3,6,13,16H,4-5H2,1H3
InChIKey
WJJVDJLKISXDQN-UHFFFAOYSA-N
Compound name
1-(7-hydroxy-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 147.2
[M+Na]+ 239.07909 157.7
[M-H]- 215.08259 148.7
[M+NH4]+ 234.12369 168.0
[M+K]+ 255.05303 153.1
[M+H-H2O]+ 199.08713 141.6
[M+HCOO]- 261.08807 166.0
[M+CH3COO]- 275.10372 160.0
[M+Na-2H]- 237.06454 150.3
[M]+ 216.08932 147.5
[M]- 216.09042 147.5
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

No patent data available for this compound.