CID 138987433

2167610-42-4

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)NCCCC(C)(C)C(=O)O
InChI
InChI=1S/C12H23NO4/c1-11(2,3)17-10(16)13-8-6-7-12(4,5)9(14)15/h6-8H2,1-5H3,(H,13,16)(H,14,15)
InChIKey
BWJMWRYGOMYWQD-UHFFFAOYSA-N
Compound name
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.1627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 158.8
[M+Na]+ 268.15192 163.3
[M-H]- 244.15542 157.4
[M+NH4]+ 263.19652 175.5
[M+K]+ 284.12586 163.3
[M+H-H2O]+ 228.15996 154.2
[M+HCOO]- 290.16090 176.5
[M+CH3COO]- 304.17655 194.2
[M+Na-2H]- 266.13737 162.0
[M]+ 245.16215 161.5
[M]- 245.16325 161.5
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