CID 25886

2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine

Structural Information

Molecular Formula
C11H17N3O2
SMILES
COC1=C(C=C(C=C1)CCN=C(N)N)OC
InChI
InChI=1S/C11H17N3O2/c1-15-9-4-3-8(7-10(9)16-2)5-6-14-11(12)13/h3-4,7H,5-6H2,1-2H3,(H4,12,13,14)
InChIKey
DGGAKXVNSIOAGE-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

223.13208 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 150.4
[M+Na]+ 246.121298 156.7
[M-H]- 222.124804 154.6
[M+NH4]+ 241.165903 168.2
[M+K]+ 262.095238 155.4
[M+H-H2O]+ 206.129340 143.0
[M+HCOO]- 268.130281 177.2
[M+CH3COO]- 282.145931 199.4
[M+Na-2H]- 244.106746 154.1
[M]+ 223.13153142 150.8
[M]- 223.13262858 150.8
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