CID 164182216

4h,5h,6h-pyrrolo[1,2-c][1,2,3]triazol-3-amine hydrochloride

Structural Information

Molecular Formula
C5H8N4
SMILES
C1CC2=C(N=NN2C1)N
InChI
InChI=1S/C5H8N4/c6-5-4-2-1-3-9(4)8-7-5/h1-3,6H2
InChIKey
LNLLFKJWEVLHIP-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-pyrrolo[1,2-c]triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.0749 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.082176 122.4
[M+Na]+ 147.064118 131.9
[M-H]- 123.067624 123.0
[M+NH4]+ 142.108723 144.8
[M+K]+ 163.038058 130.5
[M+H-H2O]+ 107.072160 115.0
[M+HCOO]- 169.073101 144.8
[M+CH3COO]- 183.088751 136.4
[M+Na-2H]- 145.049566 128.2
[M]+ 124.07435142 120.1
[M]- 124.07544858 120.1
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.