CID 4723833

2-methyl-2-{[(thiophen-3-yl)methyl]amino}propan-1-ol

Structural Information

Molecular Formula
C9H15NOS
SMILES
CC(C)(CO)NCC1=CSC=C1
InChI
InChI=1S/C9H15NOS/c1-9(2,7-11)10-5-8-3-4-12-6-8/h3-4,6,10-11H,5,7H2,1-2H3
InChIKey
PRUXABXVMAJSRQ-UHFFFAOYSA-N
Compound name
2-methyl-2-(thiophen-3-ylmethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08743 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.094706 141.8
[M+Na]+ 208.076648 148.5
[M-H]- 184.080154 144.1
[M+NH4]+ 203.121253 163.1
[M+K]+ 224.050588 145.8
[M+H-H2O]+ 168.084690 136.6
[M+HCOO]- 230.085631 159.9
[M+CH3COO]- 244.101281 179.8
[M+Na-2H]- 206.062096 144.9
[M]+ 185.08688142 142.9
[M]- 185.08797858 142.9
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.