CID 43206579

3-{[1-(5-methylthiophen-2-yl)ethyl]amino}propan-1-ol

Structural Information

Molecular Formula
C10H17NOS
SMILES
CC1=CC=C(S1)C(C)NCCCO
InChI
InChI=1S/C10H17NOS/c1-8-4-5-10(13-8)9(2)11-6-3-7-12/h4-5,9,11-12H,3,6-7H2,1-2H3
InChIKey
ATZZEGUPVVYEQI-UHFFFAOYSA-N
Compound name
3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.10309 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.110366 145.6
[M+Na]+ 222.092308 152.1
[M-H]- 198.095814 147.9
[M+NH4]+ 217.136913 166.4
[M+K]+ 238.066248 149.1
[M+H-H2O]+ 182.100350 139.9
[M+HCOO]- 244.101291 163.8
[M+CH3COO]- 258.116941 184.4
[M+Na-2H]- 220.077756 145.7
[M]+ 199.10254142 147.3
[M]- 199.10363858 147.3
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.