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

1
Patents

150.09055 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.097826 129.2
[M+Na]+ 173.079768 139.4
[M-H]- 149.083274 129.4
[M+NH4]+ 168.124373 147.0
[M+K]+ 189.053708 137.5
[M+H-H2O]+ 133.087810 115.1
[M+HCOO]- 195.088751 148.9
[M+CH3COO]- 209.104401 191.0
[M+Na-2H]- 171.065216 133.7
[M]+ 150.09000142 123.7
[M]- 150.09109858 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

patents stripe