CID 4962282

1052540-44-9

Structural Information

Molecular Formula
C12H26N2O2S
SMILES
CC(C)N(CCNC1CCS(=O)(=O)C1)C(C)C
InChI
InChI=1S/C12H26N2O2S/c1-10(2)14(11(3)4)7-6-13-12-5-8-17(15,16)9-12/h10-13H,5-9H2,1-4H3
InChIKey
SNPWZMCAOWAXOA-UHFFFAOYSA-N
Compound name
N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1715 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17878 161.7
[M+Na]+ 285.16072 165.6
[M-H]- 261.16422 165.7
[M+NH4]+ 280.20532 182.4
[M+K]+ 301.13466 165.0
[M+H-H2O]+ 245.16876 156.1
[M+HCOO]- 307.16970 178.6
[M+CH3COO]- 321.18535 203.0
[M+Na-2H]- 283.14617 159.9
[M]+ 262.17095 163.4
[M]- 262.17205 163.4
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.