CID 58970

101832-09-1

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1CCN(CC1)CC2=CNC3=C2C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H17N3O2/c18-17(19)12-4-5-13-11(9-15-14(13)8-12)10-16-6-2-1-3-7-16/h4-5,8-9,15H,1-3,6-7,10H2
InChIKey
CGHIJADMYOVGCZ-UHFFFAOYSA-N
Compound name
6-nitro-3-(piperidin-1-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 157.1
[M+Na]+ 282.12130 162.4
[M-H]- 258.12480 160.3
[M+NH4]+ 277.16590 172.0
[M+K]+ 298.09524 153.6
[M+H-H2O]+ 242.12934 153.0
[M+HCOO]- 304.13028 176.0
[M+CH3COO]- 318.14593 186.8
[M+Na-2H]- 280.10675 163.3
[M]+ 259.13153 151.4
[M]- 259.13263 151.4
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.