CID 165673458

2167695-92-1

Structural Information

Molecular Formula
C11H19N5O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2=NC(=NN2)N
InChI
InChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)16-5-4-7(6-16)8-13-9(12)15-14-8/h7H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKey
UXUSXXOVLJCJLA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.15387 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16115 161.0
[M+Na]+ 276.14309 167.4
[M-H]- 252.14659 161.3
[M+NH4]+ 271.18769 175.1
[M+K]+ 292.11703 165.3
[M+H-H2O]+ 236.15113 152.5
[M+HCOO]- 298.15207 176.7
[M+CH3COO]- 312.16772 191.7
[M+Na-2H]- 274.12854 160.8
[M]+ 253.15332 157.8
[M]- 253.15442 157.8
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.