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

5
Patents

208.10342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.110696 144.7
[M+Na]+ 231.092638 151.0
[M-H]- 207.096144 149.2
[M+NH4]+ 226.137243 162.3
[M+K]+ 247.066578 146.9
[M+H-H2O]+ 191.100680 137.4
[M+HCOO]- 253.101621 159.8
[M+CH3COO]- 267.117271 156.3
[M+Na-2H]- 229.078086 146.4
[M]+ 208.10287142 140.4
[M]- 208.10396858 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