CID 82418624

154927-00-1

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CC1C2=C(C=NN2)C=O
InChI
InChI=1S/C7H8N2O/c10-4-6-3-8-9-7(6)5-1-2-5/h3-5H,1-2H2,(H,8,9)
InChIKey
AJISPHYBQBLYBF-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

136.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 130.6
[M+Na]+ 159.052878 141.5
[M-H]- 135.056384 134.5
[M+NH4]+ 154.097483 146.0
[M+K]+ 175.026818 137.5
[M+H-H2O]+ 119.060920 123.4
[M+HCOO]- 181.061861 153.2
[M+CH3COO]- 195.077511 172.7
[M+Na-2H]- 157.038326 136.2
[M]+ 136.06311142 131.7
[M]- 136.06420858 131.7
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