CID 137955317

2167867-29-8

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C1(CCC1)OC
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-8(9(14)15)12(17-4)6-5-7-12/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKey
PIXQHOODLCQMOD-UHFFFAOYSA-N
Compound name
2-(1-methoxycyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 164.7
[M+Na]+ 282.13119 166.5
[M-H]- 258.13469 166.0
[M+NH4]+ 277.17579 175.3
[M+K]+ 298.10513 170.6
[M+H-H2O]+ 242.13923 154.6
[M+HCOO]- 304.14017 180.8
[M+CH3COO]- 318.15582 197.4
[M+Na-2H]- 280.11664 166.0
[M]+ 259.14142 174.3
[M]- 259.14252 174.3
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

No patent data available for this compound.