CID 44350055

2c-t-8

Structural Information

Molecular Formula
C14H21NO2S
SMILES
COC1=CC(=C(C=C1CCN)OC)SCC2CC2
InChI
InChI=1S/C14H21NO2S/c1-16-12-8-14(18-9-10-3-4-10)13(17-2)7-11(12)5-6-15/h7-8,10H,3-6,9,15H2,1-2H3
InChIKey
AHMSSHCYIDBVQB-UHFFFAOYSA-N
Compound name
2-[4-(cyclopropylmethylsulfanyl)-2,5-dimethoxyphenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

255
Patents

267.1293 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.136576 154.4
[M+Na]+ 290.118518 163.0
[M-H]- 266.122024 161.4
[M+NH4]+ 285.163123 166.8
[M+K]+ 306.092458 158.5
[M+H-H2O]+ 250.126560 147.2
[M+HCOO]- 312.127501 173.5
[M+CH3COO]- 326.143151 202.7
[M+Na-2H]- 288.103966 155.4
[M]+ 267.12875142 161.5
[M]- 267.12984858 161.5
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.