CID 2776063

5-dimethylamino-pentan-2-one

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(=O)CCCN(C)C
InChI
InChI=1S/C7H15NO/c1-7(9)5-4-6-8(2)3/h4-6H2,1-3H3
InChIKey
HCRLXYVAWDRFBV-UHFFFAOYSA-N
Compound name
5-(dimethylamino)pentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

119
Patents

129.11537 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.3
[M+Na]+ 152.10459 135.5
[M-H]- 128.10809 131.0
[M+NH4]+ 147.14919 151.9
[M+K]+ 168.07853 136.8
[M+H-H2O]+ 112.11263 124.3
[M+HCOO]- 174.11357 153.8
[M+CH3COO]- 188.12922 180.5
[M+Na-2H]- 150.09004 134.1
[M]+ 129.11482 131.6
[M]- 129.11592 131.6
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