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]+ 238.15500 156.1
[M+Na]+ 260.13694 163.3
[M-H]- 236.14044 159.2
[M+NH4]+ 255.18154 170.4
[M+K]+ 276.11088 162.1
[M+H-H2O]+ 220.14498 147.5
[M+HCOO]- 282.14592 172.3
[M+CH3COO]- 296.16157 192.8
[M+Na-2H]- 258.12239 156.7
[M]+ 237.14717 155.8
[M]- 237.14827 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.