CID 18882

5-nitrogramine

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

CN(C)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O2/c1-13(2)7-8-6-12-11-4-3-9(14(15)16)5-10(8)11/h3-6,12H,7H2,1-2H3

InChIKey

SVNVKGIWGOHXPW-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 7
Patents: 219.10077 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.10805	144.6
[M+Na]+	242.08999	157.3
[M+NH4]+	237.13459	152.8
[M+K]+	258.06393	155.8
[M-H]-	218.09349	148.1
[M+Na-2H]-	240.07544	150.6
[M]+	219.10022	147.2
[M]-	219.10132	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe