CID 11528992

152460-07-6

Structural Information

Molecular Formula

C₈H₁₀N₄O₂

SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(N)N

InChI

InChI=1S/C8H10N4O2/c1-5-2-3-6(12(13)14)4-7(5)11-8(9)10/h2-4H,1H3,(H4,9,10,11)

InChIKey

LAZBONZCMJREIQ-UHFFFAOYSA-N

Compound name

2-(2-methyl-5-nitrophenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 227
Patents: 194.08037 Da
Monoisotopic Mass: 1.0
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]+	195.08765	138.9
[M+Na]+	217.06959	149.1
[M+NH4]+	212.11419	146.1
[M+K]+	233.04353	147.3
[M-H]-	193.07309	143.2
[M+Na-2H]-	215.05504	144.4
[M]+	194.07982	141.1
[M]-	194.08092	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe