CID 100029

Nsc315858

Structural Information

Molecular Formula
C12H15N5O
SMILES
C1CC(OC1)CN=C(NC#N)NC2=CN=CC=C2
InChI
InChI=1S/C12H15N5O/c13-9-16-12(15-8-11-4-2-6-18-11)17-10-3-1-5-14-7-10/h1,3,5,7,11H,2,4,6,8H2,(H2,15,16,17)
InChIKey
IRAFXUUCZUZRLB-UHFFFAOYSA-N
Compound name
1-cyano-2-(oxolan-2-ylmethyl)-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

245.12766 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13494 165.5
[M+Na]+ 268.11688 173.4
[M+NH4]+ 263.16148 168.8
[M+K]+ 284.09082 166.0
[M-H]- 244.12038 162.7
[M+Na-2H]- 266.10233 168.1
[M]+ 245.12711 164.6
[M]- 245.12821 164.6
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

No patent data available for this compound.