CID 50986547

1-methyl-5-(morpholin-4-yl)-3-(propan-2-yl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CC(C)C1=NN(C(=C1C=O)N2CCOCC2)C
InChI
InChI=1S/C12H19N3O2/c1-9(2)11-10(8-16)12(14(3)13-11)15-4-6-17-7-5-15/h8-9H,4-7H2,1-3H3
InChIKey
LMVVEHDNKSMPQX-UHFFFAOYSA-N
Compound name
1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.14772 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.154996 156.1
[M+Na]+ 260.136938 163.3
[M-H]- 236.140444 159.2
[M+NH4]+ 255.181543 170.4
[M+K]+ 276.110878 162.1
[M+H-H2O]+ 220.144980 147.5
[M+HCOO]- 282.145921 172.3
[M+CH3COO]- 296.161571 192.8
[M+Na-2H]- 258.122386 156.7
[M]+ 237.14717142 155.8
[M]- 237.14826858 155.8
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.