CID 301012

2-(dimethylamino)cyclopentan-1-one hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
CN(C)C1CCCC1=O
InChI
InChI=1S/C7H13NO/c1-8(2)6-4-3-5-7(6)9/h6H,3-5H2,1-2H3
InChIKey
CMRKAVCMNZXAHC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

127.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 127.4
[M+Na]+ 150.08894 136.8
[M+NH4]+ 145.13354 136.4
[M+K]+ 166.06288 133.3
[M-H]- 126.09244 129.4
[M+Na-2H]- 148.07439 132.0
[M]+ 127.09917 129.0
[M]- 127.10027 129.0
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