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]+ 148.079076 128.8
[M+Na]+ 170.061018 135.6
[M-H]- 146.064524 131.5
[M+NH4]+ 165.105623 148.3
[M+K]+ 186.034958 135.7
[M+H-H2O]+ 130.069060 123.0
[M+HCOO]- 192.070001 142.9
[M+CH3COO]- 206.085651 172.9
[M+Na-2H]- 168.046466 132.3
[M]+ 147.07125142 128.3
[M]- 147.07234858 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