CID 29851

1-veratrylguanidine sulfate (2:1)

Structural Information

Molecular Formula
C10H15N3O2
SMILES
COC1=C(C=C(C=C1)CN=C(N)N)OC
InChI
InChI=1S/C10H15N3O2/c1-14-8-4-3-7(5-9(8)15-2)6-13-10(11)12/h3-5H,6H2,1-2H3,(H4,11,12,13)
InChIKey
WQPOSQDIXGOFCT-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

209.11642 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.123696 145.9
[M+Na]+ 232.105638 152.5
[M-H]- 208.109144 150.3
[M+NH4]+ 227.150243 164.3
[M+K]+ 248.079578 151.5
[M+H-H2O]+ 192.113680 138.7
[M+HCOO]- 254.114621 173.0
[M+CH3COO]- 268.130271 196.4
[M+Na-2H]- 230.091086 150.1
[M]+ 209.11587142 145.9
[M]- 209.11696858 145.9
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