CID 43436182

2-methyl-4-(thiomorpholin-4-yl)aniline

Structural Information

Molecular Formula
C11H16N2S
SMILES
CC1=C(C=CC(=C1)N2CCSCC2)N
InChI
InChI=1S/C11H16N2S/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKey
XEJNWQFAOCDDTQ-UHFFFAOYSA-N
Compound name
2-methyl-4-thiomorpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.10342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11070 144.7
[M+Na]+ 231.09264 151.0
[M-H]- 207.09614 149.2
[M+NH4]+ 226.13724 162.3
[M+K]+ 247.06658 146.9
[M+H-H2O]+ 191.10068 137.4
[M+HCOO]- 253.10162 159.8
[M+CH3COO]- 267.11727 156.3
[M+Na-2H]- 229.07809 146.4
[M]+ 208.10287 140.4
[M]- 208.10397 140.4
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