CID 9920508

95656-86-3

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

CC(CNC(=O)OC(C)(C)C)O

InChI

InChI=1S/C8H17NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)

InChIKey

YNJCFDAODGKHAV-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-hydroxypropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1102
Patents: 175.12085 Da
Monoisotopic Mass: 0.7
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]+	176.12813	140.9
[M+Na]+	198.11007	146.5
[M-H]-	174.11357	139.9
[M+NH4]+	193.15467	160.5
[M+K]+	214.08401	147.0
[M+H-H2O]+	158.11811	136.4
[M+HCOO]-	220.11905	161.0
[M+CH3COO]-	234.13470	180.5
[M+Na-2H]-	196.09552	144.8
[M]+	175.12030	141.8
[M]-	175.12140	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe