CID 101914757

1642320-49-7

Structural Information

Molecular Formula
C8H15NOS
SMILES
CC(C)(C)OC(=S)N1CCC1
InChI
InChI=1S/C8H15NOS/c1-8(2,3)10-7(11)9-5-4-6-9/h4-6H2,1-3H3
InChIKey
ZZOMIPCREHYHHS-UHFFFAOYSA-N
Compound name
O-tert-butyl azetidine-1-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

173.08743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.094706 136.6
[M+Na]+ 196.076648 141.4
[M-H]- 172.080154 138.5
[M+NH4]+ 191.121253 149.7
[M+K]+ 212.050588 143.5
[M+H-H2O]+ 156.084690 125.4
[M+HCOO]- 218.085631 149.4
[M+CH3COO]- 232.101281 181.3
[M+Na-2H]- 194.062096 138.2
[M]+ 173.08688142 146.1
[M]- 173.08797858 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe