CID 121553195

1695082-42-8

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)NC1(CCNCC1)CC(=O)O
InChI
InChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-12(8-9(15)16)4-6-13-7-5-12/h13H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
ACPIGFWOZJZBNC-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

258.15796 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 161.2
[M+Na]+ 281.14718 163.9
[M-H]- 257.15068 159.5
[M+NH4]+ 276.19178 176.5
[M+K]+ 297.12112 162.9
[M+H-H2O]+ 241.15522 155.8
[M+HCOO]- 303.15616 174.8
[M+CH3COO]- 317.17181 190.3
[M+Na-2H]- 279.13263 164.3
[M]+ 258.15741 156.7
[M]- 258.15851 156.7
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