CID 121571

(+)-n-(alpha-methylphenethyl)-2-thenylamine acetate

Structural Information

Molecular Formula
C14H17NS
SMILES
CC(CC1=CC=CC=C1)NCC2=CC=CS2
InChI
InChI=1S/C14H17NS/c1-12(10-13-6-3-2-4-7-13)15-11-14-8-5-9-16-14/h2-9,12,15H,10-11H2,1H3
InChIKey
WWPIDNJLEQQXOX-UHFFFAOYSA-N
Compound name
1-phenyl-N-(thiophen-2-ylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10817 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.115446 152.9
[M+Na]+ 254.097388 159.1
[M-H]- 230.100894 159.5
[M+NH4]+ 249.141993 172.8
[M+K]+ 270.071328 154.9
[M+H-H2O]+ 214.105430 146.0
[M+HCOO]- 276.106371 173.0
[M+CH3COO]- 290.122021 191.4
[M+Na-2H]- 252.082836 154.6
[M]+ 231.10762142 153.9
[M]- 231.10871858 153.9
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

No patent data available for this compound.