CID 545141

75178-87-9

Structural Information

Molecular Formula

C₉H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NCCCCO

InChI

InChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h11H,4-7H2,1-3H3,(H,10,12)

InChIKey

LIYMTLVBAVHPBU-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-hydroxybutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1209
Patents: 189.13649 Da
Monoisotopic Mass: 1.0
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]+	190.143766	145.6
[M+Na]+	212.125708	150.9
[M-H]-	188.129214	144.3
[M+NH4]+	207.170313	164.6
[M+K]+	228.099648	150.7
[M+H-H2O]+	172.133750	140.8
[M+HCOO]-	234.134691	166.3
[M+CH3COO]-	248.150341	182.6
[M+Na-2H]-	210.111156	150.2
[M]+	189.13594142	147.5
[M]-	189.13703858	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe