CID 25224105

867326-86-1

Structural Information

Molecular Formula

C₁₀H₁₇N₅O₂

SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C2=NNN=N2

InChI

InChI=1S/C10H17N5O2/c1-10(2,3)17-9(16)15-6-4-5-7(15)8-11-13-14-12-8/h7H,4-6H2,1-3H3,(H,11,12,13,14)/t7-/m0/s1

InChIKey

KEKOWHLHSVLJLH-ZETCQYMHSA-N

Compound name

tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 239.13823 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	240.14551	154.2
[M+Na]+	262.12745	162.1
[M+NH4]+	257.17205	158.5
[M+K]+	278.10139	163.6
[M-H]-	238.13095	151.5
[M+Na-2H]-	260.11290	157.2
[M]+	239.13768	154.0
[M]-	239.13878	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe