CID 545701

147252-84-4

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

CC(CO)NC(=O)OC(C)(C)C

InChI

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

InChIKey

PDAFIZPRSXHMCO-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-hydroxypropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1718
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	140.3
[M+Na]+	198.11007	147.3
[M+NH4]+	193.15467	146.0
[M+K]+	214.08401	145.0
[M-H]-	174.11357	137.6
[M+Na-2H]-	196.09552	141.6
[M]+	175.12030	140.1
[M]-	175.12140	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe