CID 46835551

1001907-44-3

Structural Information

Molecular Formula

C₉H₁₇N₃O₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)C(=O)NN

InChI

InChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)12-4-6(5-12)7(13)11-10/h6H,4-5,10H2,1-3H3,(H,11,13)

InChIKey

IOXCKRNGHYJOAQ-UHFFFAOYSA-N

Compound name

tert-butyl 3-(hydrazinecarbonyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 215.127 Da
Monoisotopic Mass: -0.6
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]+	216.13428	154.6
[M+Na]+	238.11622	157.8
[M-H]-	214.11972	156.0
[M+NH4]+	233.16082	164.4
[M+K]+	254.09016	161.4
[M+H-H2O]+	198.12426	142.0
[M+HCOO]-	260.12520	172.9
[M+CH3COO]-	274.14085	194.0
[M+Na-2H]-	236.10167	156.1
[M]+	215.12645	161.4
[M]-	215.12755	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe