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]+ 201.113476 143.1
[M+Na]+ 223.095418 150.1
[M-H]- 199.098924 147.0
[M+NH4]+ 218.140023 160.2
[M+K]+ 239.069358 146.3
[M+H-H2O]+ 183.103460 134.3
[M+HCOO]- 245.104401 167.3
[M+CH3COO]- 259.120051 188.5
[M+Na-2H]- 221.080866 148.3
[M]+ 200.10565142 139.6
[M]- 200.10674858 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.