CID 21196030

1123693-87-7

Structural Information

Molecular Formula

C₁₁H₂₃NO₃

SMILES

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

InChI

InChI=1S/C11H23NO3/c1-10(2,3)15-9(14)12-11(4,5)7-6-8-13/h13H,6-8H2,1-5H3,(H,12,14)

InChIKey

JKIBBZJMKUQDSZ-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-hydroxy-2-methylpentan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 217.1678 Da
Monoisotopic Mass: 1.6
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]+	218.17508	153.7
[M+Na]+	240.15702	158.7
[M-H]-	216.16052	152.4
[M+NH4]+	235.20162	171.8
[M+K]+	256.13096	158.4
[M+H-H2O]+	200.16506	149.3
[M+HCOO]-	262.16600	172.3
[M+CH3COO]-	276.18165	189.1
[M+Na-2H]-	238.14247	158.4
[M]+	217.16725	155.9
[M]-	217.16835	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe