CID 14374

1147-97-3

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CCN(CC)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H17N3O2/c1-3-15(4-2)9-10-8-14-13-6-5-11(16(17)18)7-12(10)13/h5-8,14H,3-4,9H2,1-2H3
InChIKey
GXZBKAKDGAAGIW-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(5-nitro-1H-indol-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.139356 154.8
[M+Na]+ 270.121298 161.8
[M-H]- 246.124804 158.4
[M+NH4]+ 265.165903 172.7
[M+K]+ 286.095238 154.8
[M+H-H2O]+ 230.129340 152.1
[M+HCOO]- 292.130281 179.9
[M+CH3COO]- 306.145931 192.3
[M+Na-2H]- 268.106746 161.8
[M]+ 247.13153142 155.6
[M]- 247.13262858 155.6
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.