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]+ 186.09471 141.8
[M+Na]+ 208.07665 148.5
[M-H]- 184.08015 144.1
[M+NH4]+ 203.12125 163.1
[M+K]+ 224.05059 145.8
[M+H-H2O]+ 168.08469 136.6
[M+HCOO]- 230.08563 159.9
[M+CH3COO]- 244.10128 179.8
[M+Na-2H]- 206.06210 144.9
[M]+ 185.08688 142.9
[M]- 185.08798 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.