CID 74765736

Phe-boroala

Structural Information

Molecular Formula
C11H17BN2O3
SMILES
B([C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)N)(O)O
InChI
InChI=1S/C11H17BN2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10,16-17H,7,13H2,1H3,(H,14,15)/t8-,10-/m0/s1
InChIKey
NSYYAAGUDRGYOR-WPRPVWTQSA-N
Compound name
[(1R)-1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

236.13322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14050 154.8
[M+Na]+ 259.12244 157.4
[M-H]- 235.12594 154.5
[M+NH4]+ 254.16704 169.6
[M+K]+ 275.09638 156.0
[M+H-H2O]+ 219.13048 148.0
[M+HCOO]- 281.13142 173.6
[M+CH3COO]- 295.14707 192.6
[M+Na-2H]- 257.10789 155.0
[M]+ 236.13267 150.3
[M]- 236.13377 150.3
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

No patent data available for this compound.