CID 95476220

L-a-aminoadipic acid d-tert-butyl ester

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.13141 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 151.3
[M+Na]+ 240.12063 155.9
[M-H]- 216.12413 149.4
[M+NH4]+ 235.16523 168.5
[M+K]+ 256.09457 156.0
[M+H-H2O]+ 200.12867 146.3
[M+HCOO]- 262.12961 169.5
[M+CH3COO]- 276.14526 188.7
[M+Na-2H]- 238.10608 152.0
[M]+ 217.13086 152.1
[M]- 217.13196 152.1
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