CID 2115238

869947-86-4

Structural Information

Molecular Formula
C13H15NOS
SMILES
COC1=CC=CC=C1CNCC2=CC=CS2
InChI
InChI=1S/C13H15NOS/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3
InChIKey
BNUOVFLGFYELTB-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09471 151.0
[M+Na]+ 256.07665 158.7
[M-H]- 232.08015 158.1
[M+NH4]+ 251.12125 171.1
[M+K]+ 272.05059 154.8
[M+H-H2O]+ 216.08469 144.3
[M+HCOO]- 278.08563 172.8
[M+CH3COO]- 292.10128 190.7
[M+Na-2H]- 254.06210 153.8
[M]+ 233.08688 154.1
[M]- 233.08798 154.1
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.