CID 4723833

2-methyl-2-[(3-thienylmethyl)amino]-1-propanol

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 142.2
[M+Na]+ 208.07665 150.8
[M+NH4]+ 203.12125 150.6
[M+K]+ 224.05059 145.3
[M-H]- 184.08015 143.3
[M+Na-2H]- 206.06210 146.5
[M]+ 185.08688 144.0
[M]- 185.08798 144.0
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.