CID 50998849

42116-56-3

Structural Information

Molecular Formula

C₈H₁₇N₃O₃

SMILES

CC(C)(C)OC(=O)NCCC(=O)NN

InChI

InChI=1S/C8H17N3O3/c1-8(2,3)14-7(13)10-5-4-6(12)11-9/h4-5,9H2,1-3H3,(H,10,13)(H,11,12)

InChIKey

IEQUZNXTFVGDPD-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-hydrazinyl-3-oxopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 203.127 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]+	204.13428	146.8
[M+Na]+	226.11622	151.3
[M-H]-	202.11972	146.5
[M+NH4]+	221.16082	164.7
[M+K]+	242.09016	151.8
[M+H-H2O]+	186.12426	140.9
[M+HCOO]-	248.12520	169.9
[M+CH3COO]-	262.14085	191.2
[M+Na-2H]-	224.10167	150.6
[M]+	203.12645	146.0
[M]-	203.12755	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe