CID 57416914

1-cyclopropyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CC1N2C=C(C=N2)C=O
InChI
InChI=1S/C7H8N2O/c10-5-6-3-8-9(4-6)7-1-2-7/h3-5,7H,1-2H2
InChIKey
KHABDBBXXQVOHP-UHFFFAOYSA-N
Compound name
1-cyclopropylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

136.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 131.4
[M+Na]+ 159.05288 142.7
[M-H]- 135.05638 136.6
[M+NH4]+ 154.09748 147.5
[M+K]+ 175.02682 139.6
[M+H-H2O]+ 119.06092 123.9
[M+HCOO]- 181.06186 155.4
[M+CH3COO]- 195.07751 175.3
[M+Na-2H]- 157.03833 137.3
[M]+ 136.06311 134.3
[M]- 136.06421 134.3
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