CID 40034

Benzamidine, 3,4-dimethoxy-, monohydrochloride

Structural Information

Molecular Formula
C9H12N2O2
SMILES
COC1=C(C=C(C=C1)C(=N)N)OC
InChI
InChI=1S/C9H12N2O2/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H3,10,11)
InChIKey
GRNBGCVJIQHIKG-UHFFFAOYSA-N
Compound name
3,4-dimethoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

180.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.4
[M+Na]+ 203.079088 144.9
[M-H]- 179.082594 141.1
[M+NH4]+ 198.123693 156.9
[M+K]+ 219.053028 143.5
[M+H-H2O]+ 163.087130 131.2
[M+HCOO]- 225.088071 163.0
[M+CH3COO]- 239.103721 186.9
[M+Na-2H]- 201.064536 142.4
[M]+ 180.08932142 137.1
[M]- 180.09041858 137.1
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