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]+ 182.103636 138.9
[M+Na]+ 204.085578 145.8
[M-H]- 180.089084 138.9
[M+NH4]+ 199.130183 155.3
[M+K]+ 220.059518 143.6
[M+H-H2O]+ 164.093620 129.7
[M+HCOO]- 226.094561 157.3
[M+CH3COO]- 240.110211 150.1
[M+Na-2H]- 202.071026 140.3
[M]+ 181.09581142 133.2
[M]- 181.09690858 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.