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

240
Patents

267.1293 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13658 154.4
[M+Na]+ 290.11852 163.0
[M-H]- 266.12202 161.4
[M+NH4]+ 285.16312 166.8
[M+K]+ 306.09246 158.5
[M+H-H2O]+ 250.12656 147.2
[M+HCOO]- 312.12750 173.5
[M+CH3COO]- 326.14315 202.7
[M+Na-2H]- 288.10397 155.4
[M]+ 267.12875 161.5
[M]- 267.12985 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.