CID 26379

Sulfate de n-benzylaminopropylguanidine [french]

Structural Information

Molecular Formula
C11H18N4
SMILES
C1=CC=C(C=C1)CNCCCN=C(N)N
InChI
InChI=1S/C11H18N4/c12-11(13)15-8-4-7-14-9-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H4,12,13,15)
InChIKey
UOGCYSZLFQBJHM-UHFFFAOYSA-N
Compound name
2-[3-(benzylamino)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.15315 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.160426 146.5
[M+Na]+ 229.142368 150.1
[M-H]- 205.145874 149.8
[M+NH4]+ 224.186973 164.0
[M+K]+ 245.116308 147.8
[M+H-H2O]+ 189.150410 138.6
[M+HCOO]- 251.151351 173.9
[M+CH3COO]- 265.167001 198.0
[M+Na-2H]- 227.127816 152.1
[M]+ 206.15260142 142.6
[M]- 206.15369858 142.6
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

No patent data available for this compound.