CID 119031384

3-amino-2,2-dimethyl-3-(thiophen-2-yl)propan-1-ol

Structural Information

Molecular Formula
C9H15NOS
SMILES
CC(C)(CO)C(C1=CC=CS1)N
InChI
InChI=1S/C9H15NOS/c1-9(2,6-11)8(10)7-4-3-5-12-7/h3-5,8,11H,6,10H2,1-2H3
InChIKey
QXNHPELAJXNRJS-UHFFFAOYSA-N
Compound name
3-amino-2,2-dimethyl-3-thiophen-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08743 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09471 142.5
[M+Na]+ 208.07665 148.9
[M-H]- 184.08015 144.4
[M+NH4]+ 203.12125 163.4
[M+K]+ 224.05059 146.3
[M+H-H2O]+ 168.08469 137.4
[M+HCOO]- 230.08563 158.9
[M+CH3COO]- 244.10128 180.0
[M+Na-2H]- 206.06210 143.5
[M]+ 185.08688 142.0
[M]- 185.08798 142.0
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.