CID 155822735

2567497-38-3

Structural Information

Molecular Formula
C14H21NO4
SMILES
C=CC(=O)N1CCC(CC1)C2(CCOCC2)C(=O)O
InChI
InChI=1S/C14H21NO4/c1-2-12(16)15-7-3-11(4-8-15)14(13(17)18)5-9-19-10-6-14/h2,11H,1,3-10H2,(H,17,18)
InChIKey
BTXGRXFJKXKOMY-UHFFFAOYSA-N
Compound name
4-(1-prop-2-enoylpiperidin-4-yl)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 163.0
[M+Na]+ 290.13628 165.2
[M-H]- 266.13978 165.8
[M+NH4]+ 285.18088 177.0
[M+K]+ 306.11022 164.3
[M+H-H2O]+ 250.14432 155.9
[M+HCOO]- 312.14526 174.4
[M+CH3COO]- 326.16091 192.2
[M+Na-2H]- 288.12173 163.7
[M]+ 267.14651 155.9
[M]- 267.14761 155.9
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.