CID 2734668

N-boc-l-tert-leucine

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKey
LRFZIPCTFBPFLX-SSDOTTSWSA-N
Compound name
(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3079
Patents

231.14706 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 153.4
[M+Na]+ 254.13628 158.3
[M-H]- 230.13978 152.4
[M+NH4]+ 249.18088 170.7
[M+K]+ 270.11022 159.1
[M+H-H2O]+ 214.14432 149.3
[M+HCOO]- 276.14526 170.6
[M+CH3COO]- 290.16091 191.4
[M+Na-2H]- 252.12173 156.0
[M]+ 231.14651 155.1
[M]- 231.14761 155.1
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