CID 1512539

157688-46-5

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKey
ZXFLMSIMHISJFV-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1492
Patents

243.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.8
[M+Na]+ 266.13628 160.9
[M-H]- 242.13978 156.8
[M+NH4]+ 261.18088 172.2
[M+K]+ 282.11022 160.4
[M+H-H2O]+ 226.14432 150.8
[M+HCOO]- 288.14526 171.0
[M+CH3COO]- 302.16091 189.2
[M+Na-2H]- 264.12173 158.0
[M]+ 243.14651 155.0
[M]- 243.14761 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe