CID 28064317

1-(2-hydroxyethyl)-3-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=NN(C=C1C=O)CCO
InChI
InChI=1S/C7H10N2O2/c1-6-7(5-11)4-9(8-6)2-3-10/h4-5,10H,2-3H2,1H3
InChIKey
QUSLPCAYDROTTE-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.07423 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 130.4
[M+Na]+ 177.06345 140.3
[M-H]- 153.06695 130.6
[M+NH4]+ 172.10805 150.4
[M+K]+ 193.03739 138.5
[M+H-H2O]+ 137.07149 124.1
[M+HCOO]- 199.07243 152.9
[M+CH3COO]- 213.08808 173.5
[M+Na-2H]- 175.04890 135.4
[M]+ 154.07368 132.4
[M]- 154.07478 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe