CID 208083

31634-28-3

Structural Information

Molecular Formula
C10H17NOS
SMILES
CC(C)NC(C)C(C1=CSC=C1)O
InChI
InChI=1S/C10H17NOS/c1-7(2)11-8(3)10(12)9-4-5-13-6-9/h4-8,10-12H,1-3H3
InChIKey
RZRXMIPVSJNYBU-UHFFFAOYSA-N
Compound name
2-(propan-2-ylamino)-1-thiophen-3-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.10309 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.110366 147.5
[M+Na]+ 222.092308 152.4
[M-H]- 198.095814 149.6
[M+NH4]+ 217.136913 167.8
[M+K]+ 238.066248 150.6
[M+H-H2O]+ 182.100350 141.7
[M+HCOO]- 244.101291 163.6
[M+CH3COO]- 258.116941 185.1
[M+Na-2H]- 220.077756 145.9
[M]+ 199.10254142 147.6
[M]- 199.10363858 147.6
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.