CID 71777995

3-(tert-butylsulfanyl)azetidine hydrochloride

Structural Information

Molecular Formula
C7H15NS
SMILES
CC(C)(C)SC1CNC1
InChI
InChI=1S/C7H15NS/c1-7(2,3)9-6-4-8-5-6/h6,8H,4-5H2,1-3H3
InChIKey
NFLJCFUHYCGQGC-UHFFFAOYSA-N
Compound name
3-tert-butylsulfanylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

145.09251 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 129.6
[M+Na]+ 168.081728 134.5
[M-H]- 144.085234 130.2
[M+NH4]+ 163.126333 143.2
[M+K]+ 184.055668 135.6
[M+H-H2O]+ 128.089770 118.9
[M+HCOO]- 190.090711 141.9
[M+CH3COO]- 204.106361 175.3
[M+Na-2H]- 166.067176 132.4
[M]+ 145.09196142 137.0
[M]- 145.09305858 137.0
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