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]+ 263.178776 161.7
[M+Na]+ 285.160718 165.6
[M-H]- 261.164224 165.7
[M+NH4]+ 280.205323 182.4
[M+K]+ 301.134658 165.0
[M+H-H2O]+ 245.168760 156.1
[M+HCOO]- 307.169701 178.6
[M+CH3COO]- 321.185351 203.0
[M+Na-2H]- 283.146166 159.9
[M]+ 262.17095142 163.4
[M]- 262.17204858 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.