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]+ 268.154336 163.0
[M+Na]+ 290.136278 165.2
[M-H]- 266.139784 165.8
[M+NH4]+ 285.180883 177.0
[M+K]+ 306.110218 164.3
[M+H-H2O]+ 250.144320 155.9
[M+HCOO]- 312.145261 174.4
[M+CH3COO]- 326.160911 192.2
[M+Na-2H]- 288.121726 163.7
[M]+ 267.14651142 155.9
[M]- 267.14760858 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.