CID 137949412

2148563-02-2

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)NC(C1CCCCO1)C(=O)O
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-9(10(14)15)8-6-4-5-7-17-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
JWTOLTDCGMMLII-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14197 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 159.6
[M+Na]+ 282.13119 161.6
[M-H]- 258.13469 161.2
[M+NH4]+ 277.17579 173.6
[M+K]+ 298.10513 163.1
[M+H-H2O]+ 242.13923 153.7
[M+HCOO]- 304.14017 174.5
[M+CH3COO]- 318.15582 193.7
[M+Na-2H]- 280.11664 161.7
[M]+ 259.14142 157.6
[M]- 259.14252 157.6
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.