CID 21390429

64635-26-3

Structural Information

Molecular Formula
C7H11NOS
SMILES
COC(CN)C1=CC=CS1
InChI
InChI=1S/C7H11NOS/c1-9-6(5-8)7-3-2-4-10-7/h2-4,6H,5,8H2,1H3
InChIKey
FLXIOVQXMOFJRX-UHFFFAOYSA-N
Compound name
2-methoxy-2-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

157.05614 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.063416 132.7
[M+Na]+ 180.045358 140.1
[M-H]- 156.048864 136.1
[M+NH4]+ 175.089963 155.4
[M+K]+ 196.019298 138.5
[M+H-H2O]+ 140.053400 127.1
[M+HCOO]- 202.054341 152.8
[M+CH3COO]- 216.069991 176.2
[M+Na-2H]- 178.030806 134.3
[M]+ 157.05559142 133.9
[M]- 157.05668858 133.9
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