CID 3087586

O-heptamethyleniminomethylbenzylguanidine sulfate

Structural Information

Molecular Formula
C16H26N4
SMILES
C1CCCN(CCC1)CC2=CC=CC=C2CN=C(N)N
InChI
InChI=1S/C16H26N4/c17-16(18)19-12-14-8-4-5-9-15(14)13-20-10-6-2-1-3-7-11-20/h4-5,8-9H,1-3,6-7,10-13H2,(H4,17,18,19)
InChIKey
JPKBBUUIERDHMW-UHFFFAOYSA-N
Compound name
2-[[2-(azocan-1-ylmethyl)phenyl]methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.21576 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.22304 157.6
[M+Na]+ 297.20498 160.2
[M-H]- 273.20848 159.7
[M+NH4]+ 292.24958 163.9
[M+K]+ 313.17892 159.7
[M+H-H2O]+ 257.21302 152.5
[M+HCOO]- 319.21396 166.8
[M+CH3COO]- 333.22961 232.9
[M+Na-2H]- 295.19043 156.9
[M]+ 274.21521 154.0
[M]- 274.21631 154.0
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.