CID 100534

60560-19-2

Structural Information

Molecular Formula
C10H11N5
SMILES
C1CC1N=C(NC#N)NC2=CN=CC=C2
InChI
InChI=1S/C10H11N5/c11-7-13-10(14-8-3-4-8)15-9-2-1-5-12-6-9/h1-2,5-6,8H,3-4H2,(H2,13,14,15)
InChIKey
MMDTYIREYCRUJE-UHFFFAOYSA-N
Compound name
1-cyano-2-cyclopropyl-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

201.10144 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.108716 143.5
[M+Na]+ 224.090658 156.1
[M-H]- 200.094164 150.8
[M+NH4]+ 219.135263 156.1
[M+K]+ 240.064598 149.9
[M+H-H2O]+ 184.098700 131.4
[M+HCOO]- 246.099641 168.0
[M+CH3COO]- 260.115291 205.6
[M+Na-2H]- 222.076106 152.4
[M]+ 201.10089142 140.0
[M]- 201.10198858 140.0
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