CID 118392824

2-(5-amino-1-phenyl-1h-pyrazol-3-yl)acetonitrile

Structural Information

Molecular Formula
C11H10N4
SMILES
C1=CC=C(C=C1)N2C(=CC(=N2)CC#N)N
InChI
InChI=1S/C11H10N4/c12-7-6-9-8-11(13)15(14-9)10-4-2-1-3-5-10/h1-5,8H,6,13H2
InChIKey
QXHPPVDCMRDKQB-UHFFFAOYSA-N
Compound name
2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

198.09055 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09783 144.0
[M+Na]+ 221.07977 154.3
[M-H]- 197.08327 146.3
[M+NH4]+ 216.12437 159.5
[M+K]+ 237.05371 149.4
[M+H-H2O]+ 181.08781 128.5
[M+HCOO]- 243.08875 163.7
[M+CH3COO]- 257.10440 155.0
[M+Na-2H]- 219.06522 148.3
[M]+ 198.09000 137.4
[M]- 198.09110 137.4
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