CID 62671633

1407009-52-2

Structural Information

Molecular Formula
C12H17N5O
SMILES
C1COCCN1CCCNC2=NC=CN=C2C#N
InChI
InChI=1S/C12H17N5O/c13-10-11-12(16-4-3-14-11)15-2-1-5-17-6-8-18-9-7-17/h3-4H,1-2,5-9H2,(H,15,16)
InChIKey
HJIOIFZCPHYJDI-UHFFFAOYSA-N
Compound name
3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14331 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.150586 150.8
[M+Na]+ 270.132528 156.9
[M-H]- 246.136034 150.9
[M+NH4]+ 265.177133 160.0
[M+K]+ 286.106468 154.0
[M+H-H2O]+ 230.140570 133.4
[M+HCOO]- 292.141511 164.2
[M+CH3COO]- 306.157161 205.3
[M+Na-2H]- 268.117976 156.9
[M]+ 247.14276142 142.7
[M]- 247.14385858 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.