CID 69675993

3-(aminomethyl)thiolan-3-ol

Structural Information

Molecular Formula
C5H11NOS
SMILES
C1CSCC1(CN)O
InChI
InChI=1S/C5H11NOS/c6-3-5(7)1-2-8-4-5/h7H,1-4,6H2
InChIKey
XJHRHLLCUNIKIE-UHFFFAOYSA-N
Compound name
3-(aminomethyl)thiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 125.9
[M+Na]+ 156.04536 133.6
[M+NH4]+ 151.08996 136.4
[M+K]+ 172.01930 127.0
[M-H]- 132.04886 127.3
[M+Na-2H]- 154.03081 130.9
[M]+ 133.05559 127.7
[M]- 133.05669 127.7
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