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 143.1
[M+Na]+ 223.09542 150.1
[M-H]- 199.09892 147.0
[M+NH4]+ 218.14002 160.2
[M+K]+ 239.06936 146.3
[M+H-H2O]+ 183.10346 134.3
[M+HCOO]- 245.10440 167.3
[M+CH3COO]- 259.12005 188.5
[M+Na-2H]- 221.08087 148.3
[M]+ 200.10565 139.6
[M]- 200.10675 139.6
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.