CID 3078468

(5-methyl-4,5-dihydro-1h-pyrazol-1-yl)(pyridin-3-yl)methanone

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1CC=NN1C(=O)C2=CN=CC=C2
InChI
InChI=1S/C10H11N3O/c1-8-4-6-12-13(8)10(14)9-3-2-5-11-7-9/h2-3,5-8H,4H2,1H3
InChIKey
KKMMIKKVFRCZBO-UHFFFAOYSA-N
Compound name
(3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

85
Patents

189.09021 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 140.5
[M+Na]+ 212.079428 148.8
[M-H]- 188.082934 143.3
[M+NH4]+ 207.124033 157.6
[M+K]+ 228.053368 146.3
[M+H-H2O]+ 172.087470 131.7
[M+HCOO]- 234.088411 161.0
[M+CH3COO]- 248.104061 181.0
[M+Na-2H]- 210.064876 145.1
[M]+ 189.08966142 139.5
[M]- 189.09075858 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe