CID 19106744

2-thiomorpholin-4-ylpropan-1-amine

Structural Information

Molecular Formula
C7H16N2S
SMILES
CC(CN)N1CCSCC1
InChI
InChI=1S/C7H16N2S/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6,8H2,1H3
InChIKey
VXVUATZNEXVGJK-UHFFFAOYSA-N
Compound name
2-thiomorpholin-4-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

160.10342 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11070 134.9
[M+Na]+ 183.09264 139.1
[M-H]- 159.09614 135.6
[M+NH4]+ 178.13724 154.0
[M+K]+ 199.06658 137.4
[M+H-H2O]+ 143.10068 128.3
[M+HCOO]- 205.10162 148.4
[M+CH3COO]- 219.11727 177.8
[M+Na-2H]- 181.07809 136.0
[M]+ 160.10287 130.1
[M]- 160.10397 130.1
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