CID 19621814

N-(2-aminoethyl)-1h-pyrazole-5-carboxamide hydrochloride

Structural Information

Molecular Formula
C6H10N4O
SMILES
C1=C(NN=C1)C(=O)NCCN
InChI
InChI=1S/C6H10N4O/c7-2-4-8-6(11)5-1-3-9-10-5/h1,3H,2,4,7H2,(H,8,11)(H,9,10)
InChIKey
XSFIHYAUOWUPMB-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.08546 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 131.3
[M+Na]+ 177.07468 137.7
[M-H]- 153.07818 130.5
[M+NH4]+ 172.11928 149.6
[M+K]+ 193.04862 135.7
[M+H-H2O]+ 137.08272 123.6
[M+HCOO]- 199.08366 154.3
[M+CH3COO]- 213.09931 175.6
[M+Na-2H]- 175.06013 136.8
[M]+ 154.08491 127.4
[M]- 154.08601 127.4
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

patents stripe