CID 3042799

60560-20-5

Structural Information

Molecular Formula
C11H15N5
SMILES
CC(C)CN=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C11H15N5/c1-9(2)6-14-11(15-8-12)16-10-4-3-5-13-7-10/h3-5,7,9H,6H2,1-2H3,(H2,14,15,16)
InChIKey
WUEVGUGUDMCZSY-UHFFFAOYSA-N
Compound name
1-cyano-2-(2-methylpropyl)-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

217.13275 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.140026 153.4
[M+Na]+ 240.121968 159.2
[M-H]- 216.125474 155.4
[M+NH4]+ 235.166573 167.9
[M+K]+ 256.095908 157.6
[M+H-H2O]+ 200.130010 138.2
[M+HCOO]- 262.130951 174.4
[M+CH3COO]- 276.146601 208.1
[M+Na-2H]- 238.107416 158.5
[M]+ 217.13220142 146.5
[M]- 217.13329858 146.5
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