CID 9859458

Akos040805778

Structural Information

Molecular Formula
C13H20N4
SMILES
C1CN(CCC1N=C(N)N)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N4/c14-13(15)16-12-6-8-17(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H4,14,15,16)
InChIKey
MSZVBZJWLZLDBM-UHFFFAOYSA-N
Compound name
2-(1-benzylpiperidin-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

232.1688 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.17608 154.0
[M+Na]+ 255.15802 156.9
[M-H]- 231.16152 158.6
[M+NH4]+ 250.20262 169.2
[M+K]+ 271.13196 153.7
[M+H-H2O]+ 215.16606 145.0
[M+HCOO]- 277.16700 175.7
[M+CH3COO]- 291.18265 199.4
[M+Na-2H]- 253.14347 157.5
[M]+ 232.16825 145.8
[M]- 232.16935 145.8
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