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]+ 216.105276 154.1
[M+Na]+ 238.087218 161.8
[M-H]- 214.090724 154.2
[M+NH4]+ 233.131823 171.3
[M+K]+ 254.061158 160.4
[M+H-H2O]+ 198.095260 143.0
[M+HCOO]- 260.096201 165.4
[M+CH3COO]- 274.111851 195.7
[M+Na-2H]- 236.072666 155.0
[M]+ 215.09745142 152.7
[M]- 215.09854858 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.