CID 45602183

1174877-89-4

Structural Information

Molecular Formula
C6H8N4
SMILES
CC1=CN(N=C1N)CC#N
InChI
InChI=1S/C6H8N4/c1-5-4-10(3-2-7)9-6(5)8/h4H,3H2,1H3,(H2,8,9)
InChIKey
OKGBQXHFULRQFE-UHFFFAOYSA-N
Compound name
2-(3-amino-4-methylpyrazol-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

136.07489 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.082166 125.3
[M+Na]+ 159.064108 135.9
[M-H]- 135.067614 125.6
[M+NH4]+ 154.108713 143.6
[M+K]+ 175.038048 134.2
[M+H-H2O]+ 119.072150 111.4
[M+HCOO]- 181.073091 145.3
[M+CH3COO]- 195.088741 188.2
[M+Na-2H]- 157.049556 130.3
[M]+ 136.07434142 119.5
[M]- 136.07543858 119.5
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