CID 84731225

2792217-36-6

Structural Information

Molecular Formula
C6H13NOS
SMILES
CNCC1(CCSC1)O
InChI
InChI=1S/C6H13NOS/c1-7-4-6(8)2-3-9-5-6/h7-8H,2-5H2,1H3
InChIKey
OFQJQGVPHGCTAQ-UHFFFAOYSA-N
Compound name
3-(methylaminomethyl)thiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.0718 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 129.8
[M+Na]+ 170.06102 136.1
[M-H]- 146.06452 131.8
[M+NH4]+ 165.10562 154.2
[M+K]+ 186.03496 134.4
[M+H-H2O]+ 130.06906 125.6
[M+HCOO]- 192.07000 147.4
[M+CH3COO]- 206.08565 170.7
[M+Na-2H]- 168.04647 133.3
[M]+ 147.07125 127.9
[M]- 147.07235 127.9
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.