CID 115417

Usaf a-12618

Structural Information

Molecular Formula
C12H19NOS
SMILES
CC(CN(C)C)SC1=CC=CC=C1OC
InChI
InChI=1S/C12H19NOS/c1-10(9-13(2)3)15-12-8-6-5-7-11(12)14-4/h5-8,10H,9H2,1-4H3
InChIKey
KCMZGTSICFCVFU-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)sulfanyl-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11873 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.126006 151.2
[M+Na]+ 248.107948 157.3
[M-H]- 224.111454 156.2
[M+NH4]+ 243.152553 170.6
[M+K]+ 264.081888 156.0
[M+H-H2O]+ 208.115990 144.4
[M+HCOO]- 270.116931 170.1
[M+CH3COO]- 284.132581 196.5
[M+Na-2H]- 246.093396 152.4
[M]+ 225.11818142 156.1
[M]- 225.11927858 156.1
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.