CID 83814205

1803590-35-3

Structural Information

Molecular Formula
C7H12ClN3
SMILES
CC1=NN(C(=C1CNC)Cl)C
InChI
InChI=1S/C7H12ClN3/c1-5-6(4-9-2)7(8)11(3)10-5/h9H,4H2,1-3H3
InChIKey
QVIFITUPYDGJSJ-UHFFFAOYSA-N
Compound name
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.07198 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.079256 136.2
[M+Na]+ 196.061198 147.0
[M-H]- 172.064704 137.7
[M+NH4]+ 191.105803 157.0
[M+K]+ 212.035138 143.6
[M+H-H2O]+ 156.069240 130.0
[M+HCOO]- 218.070181 155.7
[M+CH3COO]- 232.085831 182.8
[M+Na-2H]- 194.046646 140.6
[M]+ 173.07143142 139.1
[M]- 173.07252858 139.1
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

No patent data available for this compound.