CID 17039461

[1-(2-hydroxy-ethyl)-2,2-dimethyl-propyl]-carbamic acid tert-butyl ester

Structural Information

Molecular Formula

C₁₂H₂₅NO₃

SMILES

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

InChI

InChI=1S/C12H25NO3/c1-11(2,3)9(7-8-14)13-10(15)16-12(4,5)6/h9,14H,7-8H2,1-6H3,(H,13,15)

InChIKey

GWNITSXTIFUCSM-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-hydroxy-4,4-dimethylpentan-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.18344 Da
Monoisotopic Mass: 2.4
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]+	232.190716	157.9
[M+Na]+	254.172658	162.4
[M-H]-	230.176164	156.6
[M+NH4]+	249.217263	175.5
[M+K]+	270.146598	162.4
[M+H-H2O]+	214.180700	153.6
[M+HCOO]-	276.181641	175.2
[M+CH3COO]-	290.197291	192.3
[M+Na-2H]-	252.158106	160.9
[M]+	231.18289142	159.8
[M]-	231.18398858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe