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]+ 186.09471 140.3
[M+Na]+ 208.07665 147.1
[M-H]- 184.08015 143.8
[M+NH4]+ 203.12125 162.2
[M+K]+ 224.05059 144.9
[M+H-H2O]+ 168.08469 134.2
[M+HCOO]- 230.08563 161.5
[M+CH3COO]- 244.10128 182.1
[M+Na-2H]- 206.06210 143.1
[M]+ 185.08688 143.8
[M]- 185.08798 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