CID 79001866

2-ethylpiperidine-1-carbonyl chloride

Structural Information

Molecular Formula
C8H14ClNO
SMILES
CCC1CCCCN1C(=O)Cl
InChI
InChI=1S/C8H14ClNO/c1-2-7-5-3-4-6-10(7)8(9)11/h7H,2-6H2,1H3
InChIKey
RDCXIJZCLMDYLF-UHFFFAOYSA-N
Compound name
2-ethylpiperidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

175.07639 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.083666 137.1
[M+Na]+ 198.065608 143.6
[M-H]- 174.069114 138.5
[M+NH4]+ 193.110213 156.8
[M+K]+ 214.039548 141.0
[M+H-H2O]+ 158.073650 131.7
[M+HCOO]- 220.074591 151.2
[M+CH3COO]- 234.090241 178.3
[M+Na-2H]- 196.051056 140.5
[M]+ 175.07584142 135.1
[M]- 175.07693858 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