CID 3725604

54152-06-6

Structural Information

Molecular Formula
C10H18ClNO
SMILES
CC1CCCC(N1C(=O)C(C)Cl)C
InChI
InChI=1S/C10H18ClNO/c1-7-5-4-6-8(2)12(7)10(13)9(3)11/h7-9H,4-6H2,1-3H3
InChIKey
GYINOGHSYTZVDH-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11498 145.1
[M+Na]+ 226.09692 151.5
[M-H]- 202.10042 146.7
[M+NH4]+ 221.14152 164.0
[M+K]+ 242.07086 148.8
[M+H-H2O]+ 186.10496 139.8
[M+HCOO]- 248.10590 157.5
[M+CH3COO]- 262.12155 186.4
[M+Na-2H]- 224.08237 145.6
[M]+ 203.10715 143.6
[M]- 203.10825 143.6
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.