CID 115048492

1888615-76-6

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1CCCC(CC1)(C(=O)O)O
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-7-4-5-12(17,6-8-13)9(14)15/h17H,4-8H2,1-3H3,(H,14,15)
InChIKey
ZHCPAUXAYPUPBC-UHFFFAOYSA-N
Compound name
4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 153.5
[M+Na]+ 282.13119 158.3
[M+NH4]+ 277.17579 158.4
[M+K]+ 298.10513 157.0
[M-H]- 258.13469 150.2
[M+Na-2H]- 280.11664 155.7
[M]+ 259.14142 152.9
[M]- 259.14252 152.9
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.