CID 79886385

3,3-dimethylpiperidine-1-carbonyl chloride

Structural Information

Molecular Formula
C8H14ClNO
SMILES
CC1(CCCN(C1)C(=O)Cl)C
InChI
InChI=1S/C8H14ClNO/c1-8(2)4-3-5-10(6-8)7(9)11/h3-6H2,1-2H3
InChIKey
JLTRWWFPNZXDSG-UHFFFAOYSA-N
Compound name
3,3-dimethylpiperidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

175.07639 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.083666 135.4
[M+Na]+ 198.065608 142.8
[M-H]- 174.069114 137.3
[M+NH4]+ 193.110213 157.2
[M+K]+ 214.039548 140.5
[M+H-H2O]+ 158.073650 131.0
[M+HCOO]- 220.074591 149.6
[M+CH3COO]- 234.090241 177.9
[M+Na-2H]- 196.051056 140.0
[M]+ 175.07584142 133.7
[M]- 175.07693858 133.7
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