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]+ 204.114976 145.1
[M+Na]+ 226.096918 151.5
[M-H]- 202.100424 146.7
[M+NH4]+ 221.141523 164.0
[M+K]+ 242.070858 148.8
[M+H-H2O]+ 186.104960 139.8
[M+HCOO]- 248.105901 157.5
[M+CH3COO]- 262.121551 186.4
[M+Na-2H]- 224.082366 145.6
[M]+ 203.10715142 143.6
[M]- 203.10824858 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.