CID 62679632

3-(3-amino-5-methyl-1h-pyrazol-1-yl)propanenitrile

Structural Information

Molecular Formula
C7H10N4
SMILES
CC1=CC(=NN1CCC#N)N
InChI
InChI=1S/C7H10N4/c1-6-5-7(9)10-11(6)4-2-3-8/h5H,2,4H2,1H3,(H2,9,10)
InChIKey
VVCMXMNDBNUCJJ-UHFFFAOYSA-N
Compound name
3-(3-amino-5-methylpyrazol-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.09055 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09783 129.2
[M+Na]+ 173.07977 139.4
[M-H]- 149.08327 129.4
[M+NH4]+ 168.12437 147.0
[M+K]+ 189.05371 137.5
[M+H-H2O]+ 133.08781 115.1
[M+HCOO]- 195.08875 148.9
[M+CH3COO]- 209.10440 191.0
[M+Na-2H]- 171.06522 133.7
[M]+ 150.09000 123.7
[M]- 150.09110 123.7
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.