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

2
Patents

136.07489 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.08217 125.3
[M+Na]+ 159.06411 135.9
[M-H]- 135.06761 125.6
[M+NH4]+ 154.10871 143.6
[M+K]+ 175.03805 134.2
[M+H-H2O]+ 119.07215 111.4
[M+HCOO]- 181.07309 145.3
[M+CH3COO]- 195.08874 188.2
[M+Na-2H]- 157.04956 130.3
[M]+ 136.07434 119.5
[M]- 136.07544 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