CID 46941523

74595-94-1

Structural Information

Molecular Formula
C15H31NS2
SMILES
CC(C)CC1NC(SC(S1)CC(C)C)CC(C)C
InChI
InChI=1S/C15H31NS2/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-16H,7-9H2,1-6H3
InChIKey
RQGPQWUKHADVPF-UHFFFAOYSA-N
Compound name
2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

65
Patents

289.1898 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19708 168.4
[M+Na]+ 312.17902 175.8
[M+NH4]+ 307.22362 176.3
[M+K]+ 328.15296 166.8
[M-H]- 288.18252 169.4
[M+Na-2H]- 310.16447 169.0
[M]+ 289.18925 170.5
[M]- 289.19035 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe