CID 206694

1-benzyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C10H11N3
SMILES
C1=CC=C(C=C1)CN2C=C(C=N2)N
InChI
InChI=1S/C10H11N3/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7,11H2
InChIKey
HKIIDGKOOZXNQC-UHFFFAOYSA-N
Compound name
1-benzylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

180
Patents

173.09529 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.102566 135.4
[M+Na]+ 196.084508 143.9
[M-H]- 172.088014 139.4
[M+NH4]+ 191.129113 154.3
[M+K]+ 212.058448 140.4
[M+H-H2O]+ 156.092550 127.2
[M+HCOO]- 218.093491 159.8
[M+CH3COO]- 232.109141 148.8
[M+Na-2H]- 194.069956 141.9
[M]+ 173.09474142 133.7
[M]- 173.09583858 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe