CID 91662811

1-(methoxymethyl)-4-methyl-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=C(N(N=C1)COC)C=O
InChI
InChI=1S/C7H10N2O2/c1-6-3-8-9(5-11-2)7(6)4-10/h3-4H,5H2,1-2H3
InChIKey
YEYKKCYDLRMCEN-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-4-methylpyrazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.07423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 129.4
[M+Na]+ 177.063448 139.7
[M-H]- 153.066954 131.0
[M+NH4]+ 172.108053 150.1
[M+K]+ 193.037388 138.8
[M+H-H2O]+ 137.071490 122.9
[M+HCOO]- 199.072431 153.4
[M+CH3COO]- 213.088081 176.2
[M+Na-2H]- 175.048896 134.9
[M]+ 154.07368142 133.3
[M]- 154.07477858 133.3
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.