CID 155205

157103-26-9

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC(=O)CC1C2=C(CCN1)C3=CC=CC=C3N2
InChI
InChI=1S/C14H16N2O/c1-9(17)8-13-14-11(6-7-15-13)10-4-2-3-5-12(10)16-14/h2-5,13,15-16H,6-8H2,1H3
InChIKey
GMCSAFFOGUXWON-UHFFFAOYSA-N
Compound name
1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 151.9
[M+Na]+ 251.11549 159.9
[M-H]- 227.11899 151.9
[M+NH4]+ 246.16009 169.9
[M+K]+ 267.08943 153.9
[M+H-H2O]+ 211.12353 144.9
[M+HCOO]- 273.12447 167.6
[M+CH3COO]- 287.14012 162.8
[M+Na-2H]- 249.10094 156.3
[M]+ 228.12572 148.7
[M]- 228.12682 148.7
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.