CID 14237729

N-boc-l-isoleucinol

Structural Information

Molecular Formula
C11H23NO3
SMILES
CC[C@H](C)[C@@H](CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H23NO3/c1-6-8(2)9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t8-,9+/m0/s1
InChIKey
BPLDQMXXYMKQPW-DTWKUNHWSA-N
Compound name
tert-butyl N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

217.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.17508 153.4
[M+Na]+ 240.15702 159.5
[M+NH4]+ 235.20162 158.5
[M+K]+ 256.13096 157.2
[M-H]- 216.16052 150.4
[M+Na-2H]- 238.14247 153.6
[M]+ 217.16725 152.9
[M]- 217.16835 152.9
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