CID 11672972

873437-13-9

Structural Information

Molecular Formula

C₁₁H₂₃NO₃

SMILES

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

InChI

InChI=1S/C11H23NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3

InChIKey

LLCYWHXMBXMVAS-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
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	153.9
[M+Na]+	240.15702	158.5
[M-H]-	216.16052	153.9
[M+NH4]+	235.20162	172.5
[M+K]+	256.13096	159.6
[M+H-H2O]+	200.16506	148.8
[M+HCOO]-	262.16600	173.6
[M+CH3COO]-	276.18165	193.0
[M+Na-2H]-	238.14247	155.7
[M]+	217.16725	157.3
[M]-	217.16835	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe