CID 28819363

1050910-59-2

Structural Information

Molecular Formula
C11H14N4O
SMILES
C1CC1C2=NC(=C(O2)N3CCNCC3)C#N
InChI
InChI=1S/C11H14N4O/c12-7-9-11(15-5-3-13-4-6-15)16-10(14-9)8-1-2-8/h8,13H,1-6H2
InChIKey
JLLXXMHLWVMUBP-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12404 145.7
[M+Na]+ 241.10598 159.6
[M-H]- 217.10948 150.5
[M+NH4]+ 236.15058 155.2
[M+K]+ 257.07992 152.2
[M+H-H2O]+ 201.11402 132.3
[M+HCOO]- 263.11496 160.3
[M+CH3COO]- 277.13061 156.5
[M+Na-2H]- 239.09143 149.9
[M]+ 218.11621 140.5
[M]- 218.11731 140.5
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.