CID 110484758

4-(pyrrolidine-1-carbonyl)-1h-1,2,3-triazol-5-amine

Structural Information

Molecular Formula
C7H11N5O
SMILES
C1CCN(C1)C(=O)C2=NNN=C2N
InChI
InChI=1S/C7H11N5O/c8-6-5(9-11-10-6)7(13)12-3-1-2-4-12/h1-4H2,(H3,8,9,10,11)
InChIKey
ZZNNYUXZAVMJCU-UHFFFAOYSA-N
Compound name
(5-amino-2H-triazol-4-yl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09636 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.10364 138.9
[M+Na]+ 204.08558 145.8
[M-H]- 180.08908 138.9
[M+NH4]+ 199.13018 155.3
[M+K]+ 220.05952 143.6
[M+H-H2O]+ 164.09362 129.7
[M+HCOO]- 226.09456 157.3
[M+CH3COO]- 240.11021 150.1
[M+Na-2H]- 202.07103 140.3
[M]+ 181.09581 133.2
[M]- 181.09691 133.2
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.