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]+ 161.110696 134.9
[M+Na]+ 183.092638 139.1
[M-H]- 159.096144 135.6
[M+NH4]+ 178.137243 154.0
[M+K]+ 199.066578 137.4
[M+H-H2O]+ 143.100680 128.3
[M+HCOO]- 205.101621 148.4
[M+CH3COO]- 219.117271 177.8
[M+Na-2H]- 181.078086 136.0
[M]+ 160.10287142 130.1
[M]- 160.10396858 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