CID 165809889

2680536-20-1

Structural Information

Molecular Formula
C10H17N5O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NN=CN2N
InChI
InChI=1S/C10H17N5O2/c1-10(2,3)17-9(16)14-4-7(5-14)8-13-12-6-15(8)11/h6-7H,4-5,11H2,1-3H3
InChIKey
ABNKFHVSIZCJKL-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-amino-1,2,4-triazol-3-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13823 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14551 158.8
[M+Na]+ 262.12745 164.7
[M-H]- 238.13095 160.0
[M+NH4]+ 257.17205 166.0
[M+K]+ 278.10139 166.4
[M+H-H2O]+ 222.13549 144.6
[M+HCOO]- 284.13643 174.8
[M+CH3COO]- 298.15208 195.7
[M+Na-2H]- 260.11290 160.5
[M]+ 239.13768 166.9
[M]- 239.13878 166.9
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.