CID 79172401

(4-methylmorpholin-2-yl)methanethiol

Structural Information

Molecular Formula
C6H13NOS
SMILES
CN1CCOC(C1)CS
InChI
InChI=1S/C6H13NOS/c1-7-2-3-8-6(4-7)5-9/h6,9H,2-5H2,1H3
InChIKey
REFJZEIBFVKVFZ-UHFFFAOYSA-N
Compound name
(4-methylmorpholin-2-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 128.8
[M+Na]+ 170.06102 135.6
[M-H]- 146.06452 131.5
[M+NH4]+ 165.10562 148.3
[M+K]+ 186.03496 135.7
[M+H-H2O]+ 130.06906 123.0
[M+HCOO]- 192.07000 142.9
[M+CH3COO]- 206.08565 172.9
[M+Na-2H]- 168.04647 132.3
[M]+ 147.07125 128.3
[M]- 147.07235 128.3
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