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 146.5
[M+Na]+ 229.14237 150.1
[M-H]- 205.14587 149.8
[M+NH4]+ 224.18697 164.0
[M+K]+ 245.11631 147.8
[M+H-H2O]+ 189.15041 138.6
[M+HCOO]- 251.15135 173.9
[M+CH3COO]- 265.16700 198.0
[M+Na-2H]- 227.12782 152.1
[M]+ 206.15260 142.6
[M]- 206.15370 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.