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

24
Patents

199.05124 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05852 141.3
[M+Na]+ 222.04046 148.7
[M-H]- 198.04396 145.4
[M+NH4]+ 217.08506 160.6
[M+K]+ 238.01440 145.5
[M+H-H2O]+ 182.04850 135.4
[M+HCOO]- 244.04944 164.3
[M+CH3COO]- 258.06509 190.7
[M+Na-2H]- 220.02591 146.6
[M]+ 199.05069 140.9
[M]- 199.05179 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