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

5
Annotation Hits: 0
References: 69
Patents: 289.1898 Da
Monoisotopic Mass: 6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	290.19708	166.4
[M+Na]+	312.17902	168.6
[M-H]-	288.18252	165.3
[M+NH4]+	307.22362	180.8
[M+K]+	328.15296	164.1
[M+H-H2O]+	272.18706	160.0
[M+HCOO]-	334.18800	167.6
[M+CH3COO]-	348.20365	203.6
[M+Na-2H]-	310.16447	159.0
[M]+	289.18925	164.9
[M]-	289.19035	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe