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

28
Patents

154.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 128.8
[M+Na]+ 177.06345 140.1
[M-H]- 153.06695 130.8
[M+NH4]+ 172.10805 149.9
[M+K]+ 193.03739 139.2
[M+H-H2O]+ 137.07149 122.7
[M+HCOO]- 199.07243 152.8
[M+CH3COO]- 213.08808 177.4
[M+Na-2H]- 175.04890 133.7
[M]+ 154.07368 133.1
[M]- 154.07478 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