CID 6486756

3,5-dimethyl-1-propyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C9H14N2O
SMILES
CCCN1C(=C(C(=N1)C)C=O)C
InChI
InChI=1S/C9H14N2O/c1-4-5-11-8(3)9(6-12)7(2)10-11/h6H,4-5H2,1-3H3
InChIKey
YPNOCSHNEXPNTH-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1-propylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 135.1
[M+Na]+ 189.09983 145.6
[M-H]- 165.10333 136.8
[M+NH4]+ 184.14443 155.8
[M+K]+ 205.07377 143.7
[M+H-H2O]+ 149.10787 128.7
[M+HCOO]- 211.10881 158.2
[M+CH3COO]- 225.12446 181.4
[M+Na-2H]- 187.08528 138.9
[M]+ 166.11006 138.7
[M]- 166.11116 138.7
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