CID 10375241

98642-44-5

Structural Information

Molecular Formula

C₉H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N(C)CCCO

InChI

InChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10(4)6-5-7-11/h11H,5-7H2,1-4H3

InChIKey

GJGLBUZZTLPCOT-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 576
Patents: 189.13649 Da
Monoisotopic Mass: 0.8
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]+	190.143766	144.8
[M+Na]+	212.125708	150.4
[M-H]-	188.129214	145.1
[M+NH4]+	207.170313	164.6
[M+K]+	228.099648	151.6
[M+H-H2O]+	172.133750	140.0
[M+HCOO]-	234.134691	166.2
[M+CH3COO]-	248.150341	186.1
[M+Na-2H]-	210.111156	148.8
[M]+	189.13594142	148.1
[M]-	189.13703858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe