CID 57790581

944142-61-4

Structural Information

Molecular Formula
C15H27NO4
SMILES
CC(C)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H27NO4/c1-11(2)10-15(12(17)18)6-8-16(9-7-15)13(19)20-14(3,4)5/h11H,6-10H2,1-5H3,(H,17,18)
InChIKey
BPGRMXNUHVYMRV-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

285.194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20128 168.1
[M+Na]+ 308.18322 171.7
[M-H]- 284.18672 167.9
[M+NH4]+ 303.22782 183.9
[M+K]+ 324.15716 171.5
[M+H-H2O]+ 268.19126 163.1
[M+HCOO]- 330.19220 180.4
[M+CH3COO]- 344.20785 198.7
[M+Na-2H]- 306.16867 168.2
[M]+ 285.19345 167.3
[M]- 285.19455 167.3
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