CID 3042793

Guanidine, n-cyano-n'-pentyl-n''-3-pyridinyl-

Structural Information

Molecular Formula
C12H17N5
SMILES
CCCCCN=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C12H17N5/c1-2-3-4-8-15-12(16-10-13)17-11-6-5-7-14-9-11/h5-7,9H,2-4,8H2,1H3,(H2,15,16,17)
InChIKey
NFMOPFYCTMVRGT-UHFFFAOYSA-N
Compound name
1-cyano-2-pentyl-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

231.14839 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.155666 155.1
[M+Na]+ 254.137608 160.8
[M-H]- 230.141114 156.9
[M+NH4]+ 249.182213 169.2
[M+K]+ 270.111548 158.5
[M+H-H2O]+ 214.145650 139.7
[M+HCOO]- 276.146591 176.7
[M+CH3COO]- 290.162241 210.1
[M+Na-2H]- 252.123056 161.0
[M]+ 231.14784142 149.1
[M]- 231.14893858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe