CID 2724762

Boc-l-isoleucine

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChIKey
QJCNLJWUIOIMMF-YUMQZZPRSA-N
Compound name
(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3655
Patents

231.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 154.8
[M+Na]+ 254.13628 160.1
[M+NH4]+ 249.18088 158.9
[M+K]+ 270.11022 159.2
[M-H]- 230.13978 150.8
[M+Na-2H]- 252.12173 154.1
[M]+ 231.14651 153.8
[M]- 231.14761 153.8
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