CID 12155293

494797-11-4

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC[C@H](CNC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C10H19NO4/c1-5-7(8(12)13)6-11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKey
NEIGWFMADWPGEL-SSDOTTSWSA-N
Compound name
(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

217.13141 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 150.9
[M+Na]+ 240.12063 155.7
[M-H]- 216.12413 149.6
[M+NH4]+ 235.16523 168.6
[M+K]+ 256.09457 156.1
[M+H-H2O]+ 200.12867 146.1
[M+HCOO]- 262.12961 169.9
[M+CH3COO]- 276.14526 188.6
[M+Na-2H]- 238.10608 152.8
[M]+ 217.13086 152.7
[M]- 217.13196 152.7
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