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
2
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]+ 130.122646 129.7
[M+Na]+ 152.104588 135.7
[M-H]- 128.108094 129.9
[M+NH4]+ 147.149193 151.6
[M+K]+ 168.078528 135.5
[M+H-H2O]+ 112.112630 124.8
[M+HCOO]- 174.113571 153.6
[M+CH3COO]- 188.129221 176.9
[M+Na-2H]- 150.090036 135.2
[M]+ 129.11482142 130.6
[M]- 129.11591858 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

literature stripe

Patent stripe

patents stripe