CID 83815323

5-cyclopropyl-1-methyl-1h-pyrazole-3-carbaldehyde

Structural Information

Molecular Formula
C8H10N2O
SMILES
CN1C(=CC(=N1)C=O)C2CC2
InChI
InChI=1S/C8H10N2O/c1-10-8(6-2-3-6)4-7(5-11)9-10/h4-6H,2-3H2,1H3
InChIKey
DGLLTLQZHPXDOG-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1-methylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

150.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 135.4
[M+Na]+ 173.068538 147.2
[M-H]- 149.072044 140.8
[M+NH4]+ 168.113143 151.2
[M+K]+ 189.042478 143.7
[M+H-H2O]+ 133.076580 128.1
[M+HCOO]- 195.077521 159.0
[M+CH3COO]- 209.093171 179.2
[M+Na-2H]- 171.053986 140.1
[M]+ 150.07877142 139.0
[M]- 150.07986858 139.0
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

patents stripe