CID 215740

36173-98-5

Structural Information

Molecular Formula

C₁₁H₁₄N₄O₂

SMILES

CN(C)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=N1

InChI

InChI=1S/C11H14N4O2/c1-13(2)5-6-14-11-4-3-10(15(16)17)7-9(11)8-12-14/h3-4,7-8H,5-6H2,1-2H3

InChIKey

BHCKWNCABQSFOK-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(5-nitroindazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 234.11168 Da
Monoisotopic Mass: 1.4
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]+	235.11896	149.3
[M+Na]+	257.10090	157.5
[M-H]-	233.10440	153.3
[M+NH4]+	252.14550	167.0
[M+K]+	273.07484	151.7
[M+H-H2O]+	217.10894	145.8
[M+HCOO]-	279.10988	175.2
[M+CH3COO]-	293.12553	191.8
[M+Na-2H]-	255.08635	158.0
[M]+	234.11113	151.7
[M]-	234.11223	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe