CID 69614250

741269-08-9

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCCCC1/C=C/C(=O)O
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-5-4-6-10(14)7-8-11(15)16/h7-8,10H,4-6,9H2,1-3H3,(H,15,16)/b8-7+
InChIKey
UMFBQPDBPIDPNK-BQYQJAHWSA-N
Compound name
(E)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 160.1
[M+Na]+ 278.136278 164.2
[M-H]- 254.139784 160.0
[M+NH4]+ 273.180883 175.0
[M+K]+ 294.110218 162.8
[M+H-H2O]+ 238.144320 154.1
[M+HCOO]- 300.145261 174.2
[M+CH3COO]- 314.160911 190.7
[M+Na-2H]- 276.121726 160.8
[M]+ 255.14651142 157.9
[M]- 255.14760858 157.9
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

patents stripe