CID 4719999

(2-methoxyethyl)[(thiophen-2-yl)methyl]amine

Structural Information

Molecular Formula
C8H13NOS
SMILES
COCCNCC1=CC=CS1
InChI
InChI=1S/C8H13NOS/c1-10-5-4-9-7-8-3-2-6-11-8/h2-3,6,9H,4-5,7H2,1H3
InChIKey
XYXJSPNXSOZJFB-UHFFFAOYSA-N
Compound name
2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

171.0718 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07908 135.8
[M+Na]+ 194.06102 143.1
[M-H]- 170.06452 139.5
[M+NH4]+ 189.10562 158.3
[M+K]+ 210.03496 141.2
[M+H-H2O]+ 154.06906 130.0
[M+HCOO]- 216.07000 157.3
[M+CH3COO]- 230.08565 179.1
[M+Na-2H]- 192.04647 139.1
[M]+ 171.07125 139.0
[M]- 171.07235 139.0
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

patents stripe