CID 43535089

Mfcd12195694

Structural Information

Molecular Formula
C9H13N3O
SMILES
CN1C=C(C=N1)N2CCC(=O)CC2
InChI
InChI=1S/C9H13N3O/c1-11-7-8(6-10-11)12-4-2-9(13)3-5-12/h6-7H,2-5H2,1H3
InChIKey
NNAZIFFFEMESTQ-UHFFFAOYSA-N
Compound name
1-(1-methylpyrazol-4-yl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.4
[M+Na]+ 202.09509 147.1
[M-H]- 178.09859 141.8
[M+NH4]+ 197.13969 157.0
[M+K]+ 218.06903 144.9
[M+H-H2O]+ 162.10313 130.7
[M+HCOO]- 224.10407 158.3
[M+CH3COO]- 238.11972 179.6
[M+Na-2H]- 200.08054 142.8
[M]+ 179.10532 136.2
[M]- 179.10642 136.2
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.