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 156.2
[M+Na]+ 268.11688 161.7
[M-H]- 244.12038 160.6
[M+NH4]+ 263.16148 169.6
[M+K]+ 284.09082 159.3
[M+H-H2O]+ 228.12492 139.9
[M+HCOO]- 290.12586 176.5
[M+CH3COO]- 304.14151 208.6
[M+Na-2H]- 266.10233 161.3
[M]+ 245.12711 147.9
[M]- 245.12821 147.9
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

No patent data available for this compound.