CID 244760

2-[(dimethylamino)methyl]cyclopentan-1-one hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
CN(C)CC1CCCC1=O
InChI
InChI=1S/C8H15NO/c1-9(2)6-7-4-3-5-8(7)10/h7H,3-6H2,1-2H3
InChIKey
QCHXYCFAPIOFIY-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.1
[M+Na]+ 164.10459 137.3
[M-H]- 140.10809 135.8
[M+NH4]+ 159.14919 154.9
[M+K]+ 180.07853 137.5
[M+H-H2O]+ 124.11263 125.6
[M+HCOO]- 186.11357 155.7
[M+CH3COO]- 200.12922 179.7
[M+Na-2H]- 162.09004 134.5
[M]+ 141.11482 130.0
[M]- 141.11592 130.0
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