CID 26793140

865074-93-7

Structural Information

Molecular Formula
C8H14ClNO
SMILES
CC(=O)N1CCC(CC1)CCl
InChI
InChI=1S/C8H14ClNO/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-6H2,1H3
InChIKey
CZNHRKWYMLUPQC-UHFFFAOYSA-N
Compound name
1-[4-(chloromethyl)piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

175.07639 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08367 137.1
[M+Na]+ 198.06561 143.6
[M-H]- 174.06911 138.5
[M+NH4]+ 193.11021 156.8
[M+K]+ 214.03955 141.0
[M+H-H2O]+ 158.07365 131.7
[M+HCOO]- 220.07459 151.2
[M+CH3COO]- 234.09024 178.3
[M+Na-2H]- 196.05106 140.5
[M]+ 175.07584 135.1
[M]- 175.07694 135.1
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

patents stripe