CID 11971390

Brn 0149938

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CCC1(C(=O)NCCNC1=O)C(C)C
InChI
InChI=1S/C10H18N2O2/c1-4-10(7(2)3)8(13)11-5-6-12-9(10)14/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)
InChIKey
IVEIQWAXGDQALJ-UHFFFAOYSA-N
Compound name
6-ethyl-6-propan-2-yl-1,4-diazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.13683 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 140.8
[M+Na]+ 221.12605 145.2
[M-H]- 197.12955 139.9
[M+NH4]+ 216.17065 156.8
[M+K]+ 237.09999 146.8
[M+H-H2O]+ 181.13409 134.2
[M+HCOO]- 243.13503 154.5
[M+CH3COO]- 257.15068 182.5
[M+Na-2H]- 219.11150 143.1
[M]+ 198.13628 133.0
[M]- 198.13738 133.0
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.