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]+ 134.06342 125.8
[M+Na]+ 156.04536 132.6
[M-H]- 132.04886 127.5
[M+NH4]+ 151.08996 150.6
[M+K]+ 172.01930 130.7
[M+H-H2O]+ 116.05340 121.8
[M+HCOO]- 178.05434 143.1
[M+CH3COO]- 192.06999 167.1
[M+Na-2H]- 154.03081 128.8
[M]+ 133.05559 122.5
[M]- 133.05669 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.