CID 7010555

53363-89-6

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t9-/m0/s1
InChIKey
YXJFAOXATCRIKU-VIFPVBQESA-N
Compound name
(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

509
Patents

245.1627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 158.2
[M+Na]+ 268.15192 163.5
[M+NH4]+ 263.19652 162.4
[M+K]+ 284.12586 163.0
[M-H]- 244.15542 154.5
[M+Na-2H]- 266.13737 157.6
[M]+ 245.16215 157.4
[M]- 245.16325 157.4
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