CID 4723871

1049713-62-3

Structural Information

Molecular Formula
C8H13NOS
SMILES
COCCNCC1=CSC=C1
InChI
InChI=1S/C8H13NOS/c1-10-4-3-9-6-8-2-5-11-7-8/h2,5,7,9H,3-4,6H2,1H3
InChIKey
FZVKCLMJDZYJHX-UHFFFAOYSA-N
Compound name
2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.0718 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.079076 135.8
[M+Na]+ 194.061018 143.1
[M-H]- 170.064524 139.5
[M+NH4]+ 189.105623 158.3
[M+K]+ 210.034958 141.2
[M+H-H2O]+ 154.069060 130.0
[M+HCOO]- 216.070001 157.3
[M+CH3COO]- 230.085651 179.1
[M+Na-2H]- 192.046466 139.1
[M]+ 171.07125142 139.0
[M]- 171.07234858 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

No patent data available for this compound.