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]+ 200.11037 145.6
[M+Na]+ 222.09231 152.1
[M-H]- 198.09581 147.9
[M+NH4]+ 217.13691 166.4
[M+K]+ 238.06625 149.1
[M+H-H2O]+ 182.10035 139.9
[M+HCOO]- 244.10129 163.8
[M+CH3COO]- 258.11694 184.4
[M+Na-2H]- 220.07776 145.7
[M]+ 199.10254 147.3
[M]- 199.10364 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.