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: 43
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]+	218.175076	154.2
[M+Na]+	240.157018	159.0
[M-H]-	216.160524	154.1
[M+NH4]+	235.201623	172.8
[M+K]+	256.130958	159.6
[M+H-H2O]+	200.165060	149.0
[M+HCOO]-	262.166001	174.9
[M+CH3COO]-	276.181651	192.1
[M+Na-2H]-	238.142466	157.1
[M]+	217.16725142	158.2
[M]-	217.16834858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe