CID 23184250

141699-70-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₂S

SMILES

CC(C)(C)OC(=O)N1CCC(C1)CS

InChI

InChI=1S/C10H19NO2S/c1-10(2,3)13-9(12)11-5-4-8(6-11)7-14/h8,14H,4-7H2,1-3H3

InChIKey

DIWNPKSWGAEEQS-UHFFFAOYSA-N

Compound name

tert-butyl 3-(sulfanylmethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 217.11365 Da
Monoisotopic Mass: 1.8
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]+	218.12093	152.1
[M+Na]+	240.10287	158.7
[M-H]-	216.10637	154.3
[M+NH4]+	235.14747	172.1
[M+K]+	256.07681	157.8
[M+H-H2O]+	200.11091	146.7
[M+HCOO]-	262.11185	165.8
[M+CH3COO]-	276.12750	185.0
[M+Na-2H]-	238.08832	151.2
[M]+	217.11310	154.3
[M]-	217.11420	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe