CID 138694725

Boc-nh-ppg2

Structural Information

Molecular Formula

C₁₁H₂₃NO₄

SMILES

CC(C)(C)OC(=O)NCCCOCCCO

InChI

InChI=1S/C11H23NO4/c1-11(2,3)16-10(14)12-6-4-8-15-9-5-7-13/h13H,4-9H2,1-3H3,(H,12,14)

InChIKey

IJYNDESZOQIQDO-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(3-hydroxypropoxy)propyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 233.1627 Da
Monoisotopic Mass: 0.8
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]+	234.16998	155.9
[M+Na]+	256.15192	162.1
[M+NH4]+	251.19652	160.6
[M+K]+	272.12586	158.8
[M-H]-	232.15542	152.8
[M+Na-2H]-	254.13737	156.3
[M]+	233.16215	155.4
[M]-	233.16325	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe