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]+ 248.15059 150.8
[M+Na]+ 270.13253 156.9
[M-H]- 246.13603 150.9
[M+NH4]+ 265.17713 160.0
[M+K]+ 286.10647 154.0
[M+H-H2O]+ 230.14057 133.4
[M+HCOO]- 292.14151 164.2
[M+CH3COO]- 306.15716 205.3
[M+Na-2H]- 268.11798 156.9
[M]+ 247.14276 142.7
[M]- 247.14386 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.