CID 3042792

60560-03-4

Structural Information

Molecular Formula
C11H15N5
SMILES
CCC(C)N=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C11H15N5/c1-3-9(2)15-11(14-8-12)16-10-5-4-6-13-7-10/h4-7,9H,3H2,1-2H3,(H2,14,15,16)
InChIKey
MONUTWSAYFVBSJ-UHFFFAOYSA-N
Compound name
2-butan-2-yl-1-cyano-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
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