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]+ 146.09979 129.6
[M+Na]+ 168.08173 134.5
[M-H]- 144.08523 130.2
[M+NH4]+ 163.12633 143.2
[M+K]+ 184.05567 135.6
[M+H-H2O]+ 128.08977 118.9
[M+HCOO]- 190.09071 141.9
[M+CH3COO]- 204.10636 175.3
[M+Na-2H]- 166.06718 132.4
[M]+ 145.09196 137.0
[M]- 145.09306 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