CID 22499834

167216-30-0

Structural Information

Molecular Formula

C₉H₁₉NO₃

SMILES

CC(CCNC(=O)OC(C)(C)C)O

InChI

InChI=1S/C9H19NO3/c1-7(11)5-6-10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)

InChIKey

IDXKPWMYURAXTA-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-hydroxybutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 189.13649 Da
Monoisotopic Mass: 1.0
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]+	190.14377	144.7
[M+Na]+	212.12571	151.5
[M+NH4]+	207.17031	150.2
[M+K]+	228.09965	148.9
[M-H]-	188.12921	142.0
[M+Na-2H]-	210.11116	145.7
[M]+	189.13594	144.4
[M]-	189.13704	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe