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

53
Patents

110.04801 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.055286 118.7
[M+Na]+ 133.037228 128.6
[M-H]- 109.040734 118.8
[M+NH4]+ 128.081833 140.2
[M+K]+ 149.011168 126.9
[M+H-H2O]+ 93.045270 112.6
[M+HCOO]- 155.046211 141.7
[M+CH3COO]- 169.061861 164.3
[M+Na-2H]- 131.022676 125.4
[M]+ 110.04746142 118.1
[M]- 110.04855858 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