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

39
Patents

221.10857 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.115846 152.1
[M+Na]+ 244.097788 157.5
[M-H]- 220.101294 152.1
[M+NH4]+ 239.142393 170.9
[M+K]+ 260.071728 156.9
[M+H-H2O]+ 204.105830 146.5
[M+HCOO]- 266.106771 168.8
[M+CH3COO]- 280.122421 189.0
[M+Na-2H]- 242.083236 154.2
[M]+ 221.10802142 157.9
[M]- 221.10911858 157.9
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

patents stripe