CID 12708347

(butan-2-yloxy)carbohydrazide

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

CCC(C)OC(=O)NN

InChI

InChI=1S/C5H12N2O2/c1-3-4(2)9-5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8)

InChIKey

YALLLIUEAPCDCY-UHFFFAOYSA-N

Compound name

butan-2-yl N-aminocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 132.08987 Da
Monoisotopic Mass: 0.5
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]+	133.097146	128.7
[M+Na]+	155.079088	134.6
[M-H]-	131.082594	128.7
[M+NH4]+	150.123693	149.8
[M+K]+	171.053028	135.4
[M+H-H2O]+	115.087130	123.4
[M+HCOO]-	177.088071	152.9
[M+CH3COO]-	191.103721	176.6
[M+Na-2H]-	153.064536	133.0
[M]+	132.08932142	127.6
[M]-	132.09041858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe