CID 13951696

56079-15-3

Structural Information

Molecular Formula
C6H9ClN2
SMILES
CC1=C(C(=NN1C)C)Cl
InChI
InChI=1S/C6H9ClN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3
InChIKey
RQQJQZNUFCUHKG-UHFFFAOYSA-N
Compound name
4-chloro-1,3,5-trimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

144.04543 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.052706 126.1
[M+Na]+ 167.034648 138.2
[M-H]- 143.038154 127.8
[M+NH4]+ 162.079253 148.4
[M+K]+ 183.008588 135.3
[M+H-H2O]+ 127.042690 120.6
[M+HCOO]- 189.043631 144.9
[M+CH3COO]- 203.059281 175.1
[M+Na-2H]- 165.020096 130.8
[M]+ 144.04488142 129.3
[M]- 144.04597858 129.3
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