CID 217560

Brn 1105968

Structural Information

Molecular Formula
C18H35NOS
SMILES
C[C@H]1CC[C@@H]([C@H](C1)OCCCCCN2CCSC2)C(C)C
InChI
InChI=1S/C18H35NOS/c1-15(2)17-8-7-16(3)13-18(17)20-11-6-4-5-9-19-10-12-21-14-19/h15-18H,4-14H2,1-3H3/t16-,17+,18-/m0/s1
InChIKey
RWTQFBWCUCVJQF-KSZLIROESA-N
Compound name
3-[5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.24393 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.25121 181.0
[M+Na]+ 336.23315 182.6
[M-H]- 312.23665 184.2
[M+NH4]+ 331.27775 196.6
[M+K]+ 352.20709 179.4
[M+H-H2O]+ 296.24119 173.3
[M+HCOO]- 358.24213 190.5
[M+CH3COO]- 372.25778 207.1
[M+Na-2H]- 334.21860 174.1
[M]+ 313.24338 179.8
[M]- 313.24448 179.8
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.