CID 6992559

N-[(1,1-dimethylethoxy)carbonyl]-d-norleucine

Structural Information

Molecular Formula
C11H21NO4
SMILES
CCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKey
ZIOCIQJXEKFHJO-MRVPVSSYSA-N
Compound name
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1310
Patents

231.14706 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 155.6
[M+Na]+ 254.136278 159.9
[M-H]- 230.139784 154.1
[M+NH4]+ 249.180883 172.7
[M+K]+ 270.110218 160.1
[M+H-H2O]+ 214.144320 150.5
[M+HCOO]- 276.145261 174.2
[M+CH3COO]- 290.160911 191.6
[M+Na-2H]- 252.121726 156.9
[M]+ 231.14651142 157.8
[M]- 231.14760858 157.8
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.