CID 21698362

4-(chloromethyl)-1-methyl-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C5H7ClN2
SMILES
CN1C=C(C=N1)CCl
InChI
InChI=1S/C5H7ClN2/c1-8-4-5(2-6)3-7-8/h3-4H,2H2,1H3
InChIKey
GPYMVNVREOOVEQ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

378
Patents

130.02977 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03705 122.3
[M+Na]+ 153.01899 133.0
[M-H]- 129.02249 123.4
[M+NH4]+ 148.06359 144.6
[M+K]+ 168.99293 130.4
[M+H-H2O]+ 113.02703 116.3
[M+HCOO]- 175.02797 141.5
[M+CH3COO]- 189.04362 169.9
[M+Na-2H]- 151.00444 129.0
[M]+ 130.02922 124.4
[M]- 130.03032 124.4
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