CID 71758650

Tert-butyl n-[2-(prop-2-yn-1-ylsulfanyl)ethyl]carbamate

Structural Information

Molecular Formula
C10H17NO2S
SMILES
CC(C)(C)OC(=O)NCCSCC#C
InChI
InChI=1S/C10H17NO2S/c1-5-7-14-8-6-11-9(12)13-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKey
BPGZSJNTFMEQEY-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-prop-2-ynylsulfanylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.098 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10528 154.1
[M+Na]+ 238.08722 161.8
[M-H]- 214.09072 154.2
[M+NH4]+ 233.13182 171.3
[M+K]+ 254.06116 160.4
[M+H-H2O]+ 198.09526 143.0
[M+HCOO]- 260.09620 165.4
[M+CH3COO]- 274.11185 195.7
[M+Na-2H]- 236.07267 155.0
[M]+ 215.09745 152.7
[M]- 215.09855 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.