CID 13921

((p-chlorobenzyl)oxy)guanidine nitrate

Structural Information

Molecular Formula
C8H10ClN3O
SMILES
C1=CC(=CC=C1CON=C(N)N)Cl
InChI
InChI=1S/C8H10ClN3O/c9-7-3-1-6(2-4-7)5-13-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
InChIKey
DRFDRKXTSSFBNX-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methoxy]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

199.05124 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.058516 141.3
[M+Na]+ 222.040458 148.7
[M-H]- 198.043964 145.4
[M+NH4]+ 217.085063 160.6
[M+K]+ 238.014398 145.5
[M+H-H2O]+ 182.048500 135.4
[M+HCOO]- 244.049441 164.3
[M+CH3COO]- 258.065091 190.7
[M+Na-2H]- 220.025906 146.6
[M]+ 199.05069142 140.9
[M]- 199.05178858 140.9
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

patents stripe