CID 7019414

1-methyl-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C5H6N2O
SMILES
CN1C(=CC=N1)C=O
InChI
InChI=1S/C5H6N2O/c1-7-5(4-8)2-3-6-7/h2-4H,1H3
InChIKey
RAJRANFZSWDUJZ-UHFFFAOYSA-N
Compound name
2-methylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

522
Patents

110.04801 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 117.7
[M+Na]+ 133.03723 128.0
[M-H]- 109.04073 119.2
[M+NH4]+ 128.08183 139.9
[M+K]+ 149.01117 127.2
[M+H-H2O]+ 93.045270 111.4
[M+HCOO]- 155.04621 142.1
[M+CH3COO]- 169.06186 167.0
[M+Na-2H]- 131.02268 124.9
[M]+ 110.04746 119.0
[M]- 110.04856 119.0
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.