CID 82415625

2-(thian-4-yl)propan-2-amine

Structural Information

Molecular Formula
C8H17NS
SMILES
CC(C)(C1CCSCC1)N
InChI
InChI=1S/C8H17NS/c1-8(2,9)7-3-5-10-6-4-7/h7H,3-6,9H2,1-2H3
InChIKey
ZYGNKKDINRZICB-UHFFFAOYSA-N
Compound name
2-(thian-4-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.10817 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.115446 135.3
[M+Na]+ 182.097388 139.8
[M-H]- 158.100894 137.6
[M+NH4]+ 177.141993 156.0
[M+K]+ 198.071328 137.8
[M+H-H2O]+ 142.105430 130.1
[M+HCOO]- 204.106371 149.3
[M+CH3COO]- 218.122021 177.7
[M+Na-2H]- 180.082836 137.7
[M]+ 159.10762142 130.5
[M]- 159.10871858 130.5
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.