CID 15906386

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

Structural Information

Molecular Formula
C5H6N2O
SMILES
CC1=C(NN=C1)C=O
InChI
InChI=1S/C5H6N2O/c1-4-2-6-7-5(4)3-8/h2-3H,1H3,(H,6,7)
InChIKey
MHLFPJZIBXEVSD-UHFFFAOYSA-N
Compound name
4-methyl-1H-pyrazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

110.04801 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 118.7
[M+Na]+ 133.03723 128.6
[M-H]- 109.04073 118.8
[M+NH4]+ 128.08183 140.2
[M+K]+ 149.01117 126.9
[M+H-H2O]+ 93.045270 112.6
[M+HCOO]- 155.04621 141.7
[M+CH3COO]- 169.06186 164.3
[M+Na-2H]- 131.02268 125.4
[M]+ 110.04746 118.1
[M]- 110.04856 118.1
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