CID 20781924

1933499-51-4

Structural Information

Molecular Formula

C₉H₁₉NO₃S

SMILES

CC(C)(C)OC(=O)NCCOCCS

InChI

InChI=1S/C9H19NO3S/c1-9(2,3)13-8(11)10-4-5-12-6-7-14/h14H,4-7H2,1-3H3,(H,10,11)

InChIKey

XZDOJWXBCFLINQ-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(2-sulfanylethoxy)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 221.10857 Da
Monoisotopic Mass: 1.1
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]+	222.11585	152.1
[M+Na]+	244.09779	157.5
[M-H]-	220.10129	152.1
[M+NH4]+	239.14239	170.9
[M+K]+	260.07173	156.9
[M+H-H2O]+	204.10583	146.5
[M+HCOO]-	266.10677	168.8
[M+CH3COO]-	280.12242	189.0
[M+Na-2H]-	242.08324	154.2
[M]+	221.10802	157.9
[M]-	221.10912	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe