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

16
Patents

175.07639 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08367 135.4
[M+Na]+ 198.06561 142.8
[M-H]- 174.06911 137.3
[M+NH4]+ 193.11021 157.2
[M+K]+ 214.03955 140.5
[M+H-H2O]+ 158.07365 131.0
[M+HCOO]- 220.07459 149.6
[M+CH3COO]- 234.09024 177.9
[M+Na-2H]- 196.05106 140.0
[M]+ 175.07584 133.7
[M]- 175.07694 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