CID 208106

31648-08-5

Structural Information

Molecular Formula
C13H24NOS
SMILES
CC[N+](C)(CC)CCCC(C1=CSC=C1)O
InChI
InChI=1S/C13H24NOS/c1-4-14(3,5-2)9-6-7-13(15)12-8-10-16-11-12/h8,10-11,13,15H,4-7,9H2,1-3H3/q+1
InChIKey
YYVIAIRMWBWYHK-UHFFFAOYSA-N
Compound name
diethyl-(4-hydroxy-4-thiophen-3-ylbutyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.15787 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.16515 156.7
[M+Na]+ 265.14709 161.7
[M-H]- 241.15059 160.1
[M+NH4]+ 260.19169 176.3
[M+K]+ 281.12103 153.8
[M+H-H2O]+ 225.15513 153.5
[M+HCOO]- 287.15607 173.6
[M+CH3COO]- 301.17172 188.6
[M+Na-2H]- 263.13254 159.8
[M]+ 242.15732 158.6
[M]- 242.15842 158.6
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.