CID 2756420

206434-45-9

Structural Information

Molecular Formula
C8H16N2O
SMILES
CCN1CCCC[C@@H](C1=O)N
InChI
InChI=1S/C8H16N2O/c1-2-10-6-4-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1
InChIKey
KBJPENFOWBANKE-ZETCQYMHSA-N
Compound name
(3S)-3-amino-1-ethylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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 130.3
[M+Na]+ 179.11549 134.5
[M-H]- 155.11899 132.9
[M+NH4]+ 174.16009 148.3
[M+K]+ 195.08943 137.7
[M+H-H2O]+ 139.12353 123.9
[M+HCOO]- 201.12447 149.6
[M+CH3COO]- 215.14012 181.5
[M+Na-2H]- 177.10094 133.8
[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

patents stripe