CID 10035625

122800-01-5

Structural Information

Molecular Formula
C11H10N4
SMILES
C1=CC=C(C=C1)CN2C=C(C(=N2)N)C#N
InChI
InChI=1S/C11H10N4/c12-6-10-8-15(14-11(10)13)7-9-4-2-1-3-5-9/h1-5,8H,7H2,(H2,13,14)
InChIKey
OQGLNJKWYIEESV-UHFFFAOYSA-N
Compound name
3-amino-1-benzylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

198.09055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.097826 144.0
[M+Na]+ 221.079768 154.3
[M-H]- 197.083274 146.3
[M+NH4]+ 216.124373 159.5
[M+K]+ 237.053708 149.4
[M+H-H2O]+ 181.087810 128.5
[M+HCOO]- 243.088751 163.7
[M+CH3COO]- 257.104401 155.0
[M+Na-2H]- 219.065216 148.3
[M]+ 198.09000142 137.4
[M]- 198.09109858 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