CID 61055020

(3-aminothiolan-3-yl)methanol

Structural Information

Molecular Formula
C5H11NOS
SMILES
C1CSCC1(CO)N
InChI
InChI=1S/C5H11NOS/c6-5(3-7)1-2-8-4-5/h7H,1-4,6H2
InChIKey
OSUHGXZSRGRNTI-UHFFFAOYSA-N
Compound name
(3-aminothiolan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.05614 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.063416 125.8
[M+Na]+ 156.045358 132.6
[M-H]- 132.048864 127.5
[M+NH4]+ 151.089963 150.6
[M+K]+ 172.019298 130.7
[M+H-H2O]+ 116.053400 121.8
[M+HCOO]- 178.054341 143.1
[M+CH3COO]- 192.069991 167.1
[M+Na-2H]- 154.030806 128.8
[M]+ 133.05559142 122.5
[M]- 133.05668858 122.5
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.