CID 100963

5-ethylamino-2-pentanone

Structural Information

Molecular Formula
C7H15NO
SMILES
CCNCCCC(=O)C
InChI
InChI=1S/C7H15NO/c1-3-8-6-4-5-7(2)9/h8H,3-6H2,1-2H3
InChIKey
CAEPSWSOZBVDEO-UHFFFAOYSA-N
Compound name
5-(ethylamino)pentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.7
[M+Na]+ 152.10459 135.7
[M-H]- 128.10809 129.9
[M+NH4]+ 147.14919 151.6
[M+K]+ 168.07853 135.5
[M+H-H2O]+ 112.11263 124.8
[M+HCOO]- 174.11357 153.6
[M+CH3COO]- 188.12922 176.9
[M+Na-2H]- 150.09004 135.2
[M]+ 129.11482 130.6
[M]- 129.11592 130.6
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.