CID 2764304

5-methoxy-1,3-dimethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=NN(C(=C1C=O)OC)C
InChI
InChI=1S/C7H10N2O2/c1-5-6(4-10)7(11-3)9(2)8-5/h4H,1-3H3
InChIKey
HITOGDKGNNDJPC-UHFFFAOYSA-N
Compound name
5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

154.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 128.8
[M+Na]+ 177.063448 140.1
[M-H]- 153.066954 130.8
[M+NH4]+ 172.108053 149.9
[M+K]+ 193.037388 139.2
[M+H-H2O]+ 137.071490 122.7
[M+HCOO]- 199.072431 152.8
[M+CH3COO]- 213.088081 177.4
[M+Na-2H]- 175.048896 133.7
[M]+ 154.07368142 133.1
[M]- 154.07477858 133.1
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