CID 137944099

2287318-12-9

Structural Information

Molecular Formula
C9H14ClNO3
SMILES
CC(=O)OCC1CCN(CC1)C(=O)Cl
InChI
InChI=1S/C9H14ClNO3/c1-7(12)14-6-8-2-4-11(5-3-8)9(10)13/h8H,2-6H2,1H3
InChIKey
OMYPRDSJAAVRTN-UHFFFAOYSA-N
Compound name
(1-carbonochloridoylpiperidin-4-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06622 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07350 145.4
[M+Na]+ 242.05544 151.6
[M-H]- 218.05894 146.9
[M+NH4]+ 237.10004 163.3
[M+K]+ 258.02938 149.7
[M+H-H2O]+ 202.06348 139.9
[M+HCOO]- 264.06442 159.0
[M+CH3COO]- 278.08007 184.7
[M+Na-2H]- 240.04089 147.3
[M]+ 219.06567 145.5
[M]- 219.06677 145.5
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

No patent data available for this compound.