CID 83385690

2287282-43-1

Structural Information

Molecular Formula
C11H12N4
SMILES
C1=CC=C(C=C1)CN2C=C(C=N2)C(=N)N
InChI
InChI=1S/C11H12N4/c12-11(13)10-6-14-15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,12,13)
InChIKey
FLMSSHRZECTCSB-UHFFFAOYSA-N
Compound name
1-benzylpyrazole-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.1062 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11348 144.2
[M+Na]+ 223.09542 155.4
[M+NH4]+ 218.14002 151.7
[M+K]+ 239.06936 151.2
[M-H]- 199.09892 147.6
[M+Na-2H]- 221.08087 152.1
[M]+ 200.10565 146.4
[M]- 200.10675 146.4
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

No patent data available for this compound.