CID 12253699

855890-38-9

Structural Information

Molecular Formula
C9H13N3O2
SMILES
COC1=C(C=C(C=C1)N=C(N)N)OC
InChI
InChI=1S/C9H13N3O2/c1-13-7-4-3-6(12-9(10)11)5-8(7)14-2/h3-5H,1-2H3,(H4,10,11,12)
InChIKey
KCEIBYAXTBNNRZ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

88
Patents

195.10077 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 141.3
[M+Na]+ 218.08999 148.4
[M-H]- 194.09349 145.9
[M+NH4]+ 213.13459 160.3
[M+K]+ 234.06393 147.6
[M+H-H2O]+ 178.09803 134.3
[M+HCOO]- 240.09897 168.8
[M+CH3COO]- 254.11462 193.3
[M+Na-2H]- 216.07544 146.0
[M]+ 195.10022 141.0
[M]- 195.10132 141.0
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