CID 107202715

1373210-02-6

Structural Information

Molecular Formula

C₁₁H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N(C)CCCCCO

InChI

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

InChIKey

YSOOJRBYFOQOHW-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-hydroxypentyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 217.1678 Da
Monoisotopic Mass: 1.5
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	154.2
[M+Na]+	240.15702	159.0
[M-H]-	216.16052	154.1
[M+NH4]+	235.20162	172.8
[M+K]+	256.13096	159.6
[M+H-H2O]+	200.16506	149.0
[M+HCOO]-	262.16600	174.9
[M+CH3COO]-	276.18165	192.1
[M+Na-2H]-	238.14247	157.1
[M]+	217.16725	158.2
[M]-	217.16835	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe