CID 64311449

[4-(4-methoxyphenyl)thiophen-2-yl]methanamine

Structural Information

Molecular Formula
C12H13NOS
SMILES
COC1=CC=C(C=C1)C2=CSC(=C2)CN
InChI
InChI=1S/C12H13NOS/c1-14-11-4-2-9(3-5-11)10-6-12(7-13)15-8-10/h2-6,8H,7,13H2,1H3
InChIKey
NAKRBYHNIKUDJG-UHFFFAOYSA-N
Compound name
[4-(4-methoxyphenyl)thiophen-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.0718 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07908 146.8
[M+Na]+ 242.06102 155.9
[M-H]- 218.06452 154.0
[M+NH4]+ 237.10562 167.5
[M+K]+ 258.03496 151.8
[M+H-H2O]+ 202.06906 140.6
[M+HCOO]- 264.07000 168.2
[M+CH3COO]- 278.08565 188.1
[M+Na-2H]- 240.04647 148.5
[M]+ 219.07125 149.0
[M]- 219.07235 149.0
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.