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

1
Patents

157.05614 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 132.7
[M+Na]+ 180.04536 140.1
[M-H]- 156.04886 136.1
[M+NH4]+ 175.08996 155.4
[M+K]+ 196.01930 138.5
[M+H-H2O]+ 140.05340 127.1
[M+HCOO]- 202.05434 152.8
[M+CH3COO]- 216.06999 176.2
[M+Na-2H]- 178.03081 134.3
[M]+ 157.05559 133.9
[M]- 157.05669 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