CID 3042798

Guanidine, 2-cyano-1-propyl-3-(3-pyridyl)-

Structural Information

Molecular Formula
C10H13N5
SMILES
CCCN=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C10H13N5/c1-2-5-13-10(14-8-11)15-9-4-3-6-12-7-9/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15)
InChIKey
BOSGAOAGCGYYOH-UHFFFAOYSA-N
Compound name
1-cyano-2-propyl-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

203.1171 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.124376 147.5
[M+Na]+ 226.106318 154.0
[M-H]- 202.109824 149.6
[M+NH4]+ 221.150923 162.6
[M+K]+ 242.080258 152.1
[M+H-H2O]+ 186.114360 132.5
[M+HCOO]- 248.115301 169.7
[M+CH3COO]- 262.130951 204.6
[M+Na-2H]- 224.091766 154.3
[M]+ 203.11655142 140.9
[M]- 203.11764858 140.9
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