CID 101771382

1,5-diazecan-2-one

Structural Information

Molecular Formula
C8H16N2O
SMILES
C1CCNCCC(=O)NCC1
InChI
InChI=1S/C8H16N2O/c11-8-4-7-9-5-2-1-3-6-10-8/h9H,1-7H2,(H,10,11)
InChIKey
ZZICGOVGFZMGGW-UHFFFAOYSA-N
Compound name
1,5-diazecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.12627 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 135.6
[M+Na]+ 179.11549 139.0
[M-H]- 155.11899 129.8
[M+NH4]+ 174.16009 149.3
[M+K]+ 195.08943 137.3
[M+H-H2O]+ 139.12353 131.5
[M+HCOO]- 201.12447 149.0
[M+CH3COO]- 215.14012 165.1
[M+Na-2H]- 177.10094 139.0
[M]+ 156.12572 122.9
[M]- 156.12682 122.9
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.