CID 12035567

1-(carbonochloridoyl)piperidin-4-yl acetate

Structural Information

Molecular Formula
C8H12ClNO3
SMILES
CC(=O)OC1CCN(CC1)C(=O)Cl
InChI
InChI=1S/C8H12ClNO3/c1-6(11)13-7-2-4-10(5-3-7)8(9)12/h7H,2-5H2,1H3
InChIKey
VFQHAVANUPQLCQ-UHFFFAOYSA-N
Compound name
(1-carbonochloridoylpiperidin-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

205.05057 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05785 140.8
[M+Na]+ 228.03979 147.4
[M-H]- 204.04329 142.5
[M+NH4]+ 223.08439 159.2
[M+K]+ 244.01373 145.7
[M+H-H2O]+ 188.04783 135.4
[M+HCOO]- 250.04877 154.7
[M+CH3COO]- 264.06442 181.7
[M+Na-2H]- 226.02524 143.2
[M]+ 205.05002 140.4
[M]- 205.05112 140.4
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