CID 6857719

(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine

Structural Information

Molecular Formula
C11H16BN3O3
SMILES
B1(OC[C@H](O1)CO)C2=CC=C(C=C2)CN=C(N)N
InChI
InChI=1S/C11H16BN3O3/c13-11(14)15-5-8-1-3-9(4-2-8)12-17-7-10(6-16)18-12/h1-4,10,16H,5-7H2,(H4,13,14,15)/t10-/m1/s1
InChIKey
IIZOWFNBOXPJES-SNVBAGLBSA-N
Compound name
2-[[4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl]methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.12848 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13576 156.9
[M+Na]+ 272.11770 161.5
[M-H]- 248.12120 163.7
[M+NH4]+ 267.16230 171.5
[M+K]+ 288.09164 161.1
[M+H-H2O]+ 232.12574 149.3
[M+HCOO]- 294.12668 179.5
[M+CH3COO]- 308.14233 198.4
[M+Na-2H]- 270.10315 159.9
[M]+ 249.12793 153.9
[M]- 249.12903 153.9
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

No patent data available for this compound.