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]+ 220.079076 146.8
[M+Na]+ 242.061018 155.9
[M-H]- 218.064524 154.0
[M+NH4]+ 237.105623 167.5
[M+K]+ 258.034958 151.8
[M+H-H2O]+ 202.069060 140.6
[M+HCOO]- 264.070001 168.2
[M+CH3COO]- 278.085651 188.1
[M+Na-2H]- 240.046466 148.5
[M]+ 219.07125142 149.0
[M]- 219.07234858 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.