CID 17206465

N-(3-methoxypropyl)-n-(thien-2-ylmethyl)amine

Structural Information

Molecular Formula
C9H15NOS
SMILES
COCCCNCC1=CC=CS1
InChI
InChI=1S/C9H15NOS/c1-11-6-3-5-10-8-9-4-2-7-12-9/h2,4,7,10H,3,5-6,8H2,1H3
InChIKey
YBIYAUMKCPNUAI-UHFFFAOYSA-N
Compound name
3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.08743 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.094706 140.3
[M+Na]+ 208.076648 147.1
[M-H]- 184.080154 143.8
[M+NH4]+ 203.121253 162.2
[M+K]+ 224.050588 144.9
[M+H-H2O]+ 168.084690 134.2
[M+HCOO]- 230.085631 161.5
[M+CH3COO]- 244.101281 182.1
[M+Na-2H]- 206.062096 143.1
[M]+ 185.08688142 143.8
[M]- 185.08797858 143.8
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

patents stripe