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]+ 207.16043 148.8
[M+Na]+ 229.14237 156.7
[M+NH4]+ 224.18697 156.1
[M+K]+ 245.11631 150.7
[M-H]- 205.14587 152.7
[M+Na-2H]- 227.12782 154.8
[M]+ 206.15260 150.5
[M]- 206.15370 150.5
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

No patent data available for this compound.