CID 112756426

1-(3-methoxypropyl)-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C8H12N2O2
SMILES
COCCCN1C(=CC=N1)C=O
InChI
InChI=1S/C8H12N2O2/c1-12-6-2-5-10-8(7-11)3-4-9-10/h3-4,7H,2,5-6H2,1H3
InChIKey
MWHISNHTBZWDRM-UHFFFAOYSA-N
Compound name
2-(3-methoxypropyl)pyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

168.08987 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 134.5
[M+Na]+ 191.07909 143.4
[M-H]- 167.08259 135.5
[M+NH4]+ 186.12369 154.3
[M+K]+ 207.05303 142.3
[M+H-H2O]+ 151.08713 127.4
[M+HCOO]- 213.08807 158.2
[M+CH3COO]- 227.10372 178.1
[M+Na-2H]- 189.06454 140.1
[M]+ 168.08932 138.3
[M]- 168.09042 138.3
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