CID 2734673

1h-pyrazole-1-carboxamidine hydrochloride

Structural Information

Molecular Formula
C4H6N4
SMILES
C1=CN(N=C1)C(=N)N
InChI
InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)
InChIKey
UCQFSGCWHRTMGG-UHFFFAOYSA-N
Compound name
pyrazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

4825
Patents

110.05925 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.06653 119.3
[M+Na]+ 133.04847 127.1
[M-H]- 109.05197 120.2
[M+NH4]+ 128.09307 140.2
[M+K]+ 149.02241 126.0
[M+H-H2O]+ 93.056510 112.0
[M+HCOO]- 155.05745 144.3
[M+CH3COO]- 169.07310 170.0
[M+Na-2H]- 131.03392 126.3
[M]+ 110.05870 115.2
[M]- 110.05980 115.2
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