CID 137951637

2219380-29-5

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)N1CCCC(CC1)(CC=C)C(=O)O
InChI
InChI=1S/C15H25NO4/c1-5-7-15(12(17)18)8-6-10-16(11-9-15)13(19)20-14(2,3)4/h5H,1,6-11H2,2-4H3,(H,17,18)
InChIKey
HPNRRNYSHTWFND-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylazepane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 162.7
[M+Na]+ 306.16756 167.9
[M+NH4]+ 301.21216 167.7
[M+K]+ 322.14150 165.0
[M-H]- 282.17106 160.0
[M+Na-2H]- 304.15301 165.0
[M]+ 283.17779 162.4
[M]- 283.17889 162.4
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

No patent data available for this compound.