CID 84020921

2-cyclopropyl-1,4-diazepan-5-one

Structural Information

Molecular Formula
C8H14N2O
SMILES
C1CC1C2CNC(=O)CCN2
InChI
InChI=1S/C8H14N2O/c11-8-3-4-9-7(5-10-8)6-1-2-6/h6-7,9H,1-5H2,(H,10,11)
InChIKey
LFUVMUZKNGMLKX-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1,4-diazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 131.3
[M+Na]+ 177.09983 136.4
[M-H]- 153.10333 133.8
[M+NH4]+ 172.14443 142.3
[M+K]+ 193.07377 136.7
[M+H-H2O]+ 137.10787 123.5
[M+HCOO]- 199.10881 146.8
[M+CH3COO]- 213.12446 141.5
[M+Na-2H]- 175.08528 135.4
[M]+ 154.11006 123.5
[M]- 154.11116 123.5
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.