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

36
Patents

180.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 137.4
[M+Na]+ 203.07909 144.9
[M-H]- 179.08259 141.1
[M+NH4]+ 198.12369 156.9
[M+K]+ 219.05303 143.5
[M+H-H2O]+ 163.08713 131.2
[M+HCOO]- 225.08807 163.0
[M+CH3COO]- 239.10372 186.9
[M+Na-2H]- 201.06454 142.4
[M]+ 180.08932 137.1
[M]- 180.09042 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