CID 208075

31634-24-9

Structural Information

Molecular Formula
C10H17NOS
SMILES
CC(C)NC(C)C(C1=CC=CS1)O
InChI
InChI=1S/C10H17NOS/c1-7(2)11-8(3)10(12)9-5-4-6-13-9/h4-8,10-12H,1-3H3
InChIKey
CNKXVLUQMBFIRE-UHFFFAOYSA-N
Compound name
2-(propan-2-ylamino)-1-thiophen-2-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]+ 200.11037 147.5
[M+Na]+ 222.09231 152.4
[M-H]- 198.09581 149.6
[M+NH4]+ 217.13691 167.8
[M+K]+ 238.06625 150.6
[M+H-H2O]+ 182.10035 141.7
[M+HCOO]- 244.10129 163.6
[M+CH3COO]- 258.11694 185.1
[M+Na-2H]- 220.07776 145.9
[M]+ 199.10254 147.6
[M]- 199.10364 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.