CID 11971385

95035-87-3

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CCC1(C(=O)N(CCN(C1=O)C)C)CC
InChI
InChI=1S/C11H20N2O2/c1-5-11(6-2)9(14)12(3)7-8-13(4)10(11)15/h5-8H2,1-4H3
InChIKey
HPACMIWQYOMVNU-UHFFFAOYSA-N
Compound name
6,6-diethyl-1,4-dimethyl-1,4-diazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.15248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 140.7
[M+Na]+ 235.14170 147.5
[M-H]- 211.14520 143.0
[M+NH4]+ 230.18630 158.3
[M+K]+ 251.11564 150.1
[M+H-H2O]+ 195.14974 134.1
[M+HCOO]- 257.15068 157.9
[M+CH3COO]- 271.16633 191.6
[M+Na-2H]- 233.12715 143.6
[M]+ 212.15193 138.2
[M]- 212.15303 138.2
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.