CID 86697000

1h-pyrazole-5-carbonitrile, 1-methyl-3-[(methylamino)methyl]-, hydrochloride (1:1)

Structural Information

Molecular Formula
C7H10N4
SMILES
CNCC1=NN(C(=C1)C#N)C
InChI
InChI=1S/C7H10N4/c1-9-5-6-3-7(4-8)11(2)10-6/h3,9H,5H2,1-2H3
InChIKey
HPMMSQUICAYILZ-UHFFFAOYSA-N
Compound name
1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

150.09055 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.097826 128.6
[M+Na]+ 173.079768 138.8
[M-H]- 149.083274 129.2
[M+NH4]+ 168.124373 146.6
[M+K]+ 189.053708 137.1
[M+H-H2O]+ 133.087810 114.4
[M+HCOO]- 195.088751 148.9
[M+CH3COO]- 209.104401 191.6
[M+Na-2H]- 171.065216 134.1
[M]+ 150.09000142 124.0
[M]- 150.09109858 124.0
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