CID 167742111

1-[4-(2,2-dimethoxyethyl)thian-4-yl]methanamine

Structural Information

Molecular Formula
C10H21NO2S
SMILES
COC(CC1(CCSCC1)CN)OC
InChI
InChI=1S/C10H21NO2S/c1-12-9(13-2)7-10(8-11)3-5-14-6-4-10/h9H,3-8,11H2,1-2H3
InChIKey
LWHJFUJMYJUNBZ-UHFFFAOYSA-N
Compound name
[4-(2,2-dimethoxyethyl)thian-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1293 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13658 150.1
[M+Na]+ 242.11852 153.4
[M-H]- 218.12202 151.8
[M+NH4]+ 237.16312 170.0
[M+K]+ 258.09246 152.3
[M+H-H2O]+ 202.12656 144.5
[M+HCOO]- 264.12750 164.3
[M+CH3COO]- 278.14315 187.8
[M+Na-2H]- 240.10397 151.3
[M]+ 219.12875 149.1
[M]- 219.12985 149.1
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.