CID 43509156

2-methyl-3-(thiomorpholin-4-ylmethyl)aniline

Structural Information

Molecular Formula
C12H18N2S
SMILES
CC1=C(C=CC=C1N)CN2CCSCC2
InChI
InChI=1S/C12H18N2S/c1-10-11(3-2-4-12(10)13)9-14-5-7-15-8-6-14/h2-4H,5-9,13H2,1H3
InChIKey
PVNZJSSCDHVCQR-UHFFFAOYSA-N
Compound name
2-methyl-3-(thiomorpholin-4-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11906 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12634 148.9
[M+Na]+ 245.10828 161.0
[M+NH4]+ 240.15288 158.6
[M+K]+ 261.08222 151.6
[M-H]- 221.11178 154.1
[M+Na-2H]- 243.09373 156.2
[M]+ 222.11851 152.6
[M]- 222.11961 152.6
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.