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]+ 160.11545 135.3
[M+Na]+ 182.09739 139.8
[M-H]- 158.10089 137.6
[M+NH4]+ 177.14199 156.0
[M+K]+ 198.07133 137.8
[M+H-H2O]+ 142.10543 130.1
[M+HCOO]- 204.10637 149.3
[M+CH3COO]- 218.12202 177.7
[M+Na-2H]- 180.08284 137.7
[M]+ 159.10762 130.5
[M]- 159.10872 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.