CID 19369009

138373-85-0

Structural Information

Molecular Formula

C₉H₁₉NO₃

SMILES

CC(CN(C)C(=O)OC(C)(C)C)O

InChI

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

InChIKey

ROQKPIPQWREQCV-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 189.13649 Da
Monoisotopic Mass: 0.9
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	144.4
[M+Na]+	212.125708	149.8
[M-H]-	188.129214	144.8
[M+NH4]+	207.170313	164.1
[M+K]+	228.099648	151.5
[M+H-H2O]+	172.133750	139.8
[M+HCOO]-	234.134691	164.8
[M+CH3COO]-	248.150341	187.0
[M+Na-2H]-	210.111156	147.3
[M]+	189.13594142	147.1
[M]-	189.13703858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe