CID 10774228

1171539-58-4

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CC1=NOC(=C1)C(=O)N2CCNCC2
InChI
InChI=1S/C9H13N3O2/c1-7-6-8(14-11-7)9(13)12-4-2-10-3-5-12/h6,10H,2-5H2,1H3
InChIKey
SATHFFVJBZFYBM-UHFFFAOYSA-N
Compound name
(3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 143.4
[M+Na]+ 218.08999 149.6
[M-H]- 194.09349 144.9
[M+NH4]+ 213.13459 158.0
[M+K]+ 234.06393 148.3
[M+H-H2O]+ 178.09803 134.9
[M+HCOO]- 240.09897 159.1
[M+CH3COO]- 254.11462 178.2
[M+Na-2H]- 216.07544 146.5
[M]+ 195.10022 139.3
[M]- 195.10132 139.3
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.