CID 11528992

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

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

250
Patents

194.08037 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08765 137.2
[M+Na]+ 217.06959 143.5
[M-H]- 193.07309 141.7
[M+NH4]+ 212.11419 155.1
[M+K]+ 233.04353 138.1
[M+H-H2O]+ 177.07763 134.9
[M+HCOO]- 239.07857 165.6
[M+CH3COO]- 253.09422 186.7
[M+Na-2H]- 215.05504 143.6
[M]+ 194.07982 132.5
[M]- 194.08092 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe