CID 3033286

64036-88-0

Structural Information

Molecular Formula
C13H26N2S
SMILES
CC1(CN(C(=S)N1)C(C)(C)CC(C)(C)C)C
InChI
InChI=1S/C13H26N2S/c1-11(2,3)8-13(6,7)15-9-12(4,5)14-10(15)16/h8-9H2,1-7H3,(H,14,16)
InChIKey
TUDXUTBWUKMCSB-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-(2,4,4-trimethylpentan-2-yl)imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.18167 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18895 159.2
[M+Na]+ 265.17089 166.5
[M-H]- 241.17439 158.8
[M+NH4]+ 260.21549 178.7
[M+K]+ 281.14483 163.3
[M+H-H2O]+ 225.17893 155.0
[M+HCOO]- 287.17987 168.2
[M+CH3COO]- 301.19552 191.8
[M+Na-2H]- 263.15634 159.3
[M]+ 242.18112 159.3
[M]- 242.18222 159.3
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.