CID 23337901

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

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(C)C1=NN(C(=C1C=O)OC)C
InChI
InChI=1S/C9H14N2O2/c1-6(2)8-7(5-12)9(13-4)11(3)10-8/h5-6H,1-4H3
InChIKey
HYDMAORXQDQKDE-UHFFFAOYSA-N
Compound name
5-methoxy-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

182.10553 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 138.2
[M+Na]+ 205.09475 148.3
[M-H]- 181.09825 140.0
[M+NH4]+ 200.13935 158.1
[M+K]+ 221.06869 147.4
[M+H-H2O]+ 165.10279 131.8
[M+HCOO]- 227.10373 160.6
[M+CH3COO]- 241.11938 184.3
[M+Na-2H]- 203.08020 140.8
[M]+ 182.10498 142.6
[M]- 182.10608 142.6
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

patents stripe