CID 3051735

67767-29-7

Structural Information

Molecular Formula
C11H22N2OS
SMILES
CCC(C)N1C(=S)NC(CC1(C)O)(C)C
InChI
InChI=1S/C11H22N2OS/c1-6-8(2)13-9(15)12-10(3,4)7-11(13,5)14/h8,14H,6-7H2,1-5H3,(H,12,15)
InChIKey
OWNDKEZWWJFBEO-UHFFFAOYSA-N
Compound name
1-butan-2-yl-6-hydroxy-4,4,6-trimethyl-1,3-diazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.14528 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.15256 149.5
[M+Na]+ 253.13450 156.5
[M-H]- 229.13800 147.5
[M+NH4]+ 248.17910 168.5
[M+K]+ 269.10844 153.2
[M+H-H2O]+ 213.14254 145.4
[M+HCOO]- 275.14348 157.5
[M+CH3COO]- 289.15913 187.3
[M+Na-2H]- 251.11995 149.7
[M]+ 230.14473 147.6
[M]- 230.14583 147.6
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.