CID 47002510

{[3-methoxy-4-(methylsulfanyl)phenyl]methyl}(methyl)amine

Structural Information

Molecular Formula
C10H15NOS
SMILES
CNCC1=CC(=C(C=C1)SC)OC
InChI
InChI=1S/C10H15NOS/c1-11-7-8-4-5-10(13-3)9(6-8)12-2/h4-6,11H,7H2,1-3H3
InChIKey
QUDHHRXRBPGKEA-UHFFFAOYSA-N
Compound name
1-(3-methoxy-4-methylsulfanylphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09471 141.1
[M+Na]+ 220.07665 149.1
[M-H]- 196.08015 145.2
[M+NH4]+ 215.12125 161.3
[M+K]+ 236.05059 146.3
[M+H-H2O]+ 180.08469 135.0
[M+HCOO]- 242.08563 161.1
[M+CH3COO]- 256.10128 187.3
[M+Na-2H]- 218.06210 144.4
[M]+ 197.08688 144.9
[M]- 197.08798 144.9
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.