CID 26508

1-(2-(n-methylbenzylamino)ethyl)guanidine sulfate

Structural Information

Molecular Formula
C11H18N4
SMILES
CN(CCN=C(N)N)CC1=CC=CC=C1
InChI
InChI=1S/C11H18N4/c1-15(8-7-14-11(12)13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H4,12,13,14)
InChIKey
SDERWXCAJHTXAR-UHFFFAOYSA-N
Compound name
2-[2-[benzyl(methyl)amino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.15315 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.16043 148.2
[M+Na]+ 229.14237 152.0
[M-H]- 205.14587 153.1
[M+NH4]+ 224.18697 166.4
[M+K]+ 245.11631 151.1
[M+H-H2O]+ 189.15041 140.1
[M+HCOO]- 251.15135 176.0
[M+CH3COO]- 265.16700 201.4
[M+Na-2H]- 227.12782 152.9
[M]+ 206.15260 145.5
[M]- 206.15370 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe