CID 6857692

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

Structural Information

Molecular Formula
C10H14BN3O3
SMILES
B1(OC[C@H](O1)CO)C2=CC=C(C=C2)N=C(N)N
InChI
InChI=1S/C10H14BN3O3/c12-10(13)14-8-3-1-7(2-4-8)11-16-6-9(5-15)17-11/h1-4,9,15H,5-6H2,(H4,12,13,14)/t9-/m1/s1
InChIKey
PTRUIYBNRUNGLM-SECBINFHSA-N
Compound name
2-[4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.11282 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12010 152.3
[M+Na]+ 258.10204 157.3
[M-H]- 234.10554 159.3
[M+NH4]+ 253.14664 167.5
[M+K]+ 274.07598 157.2
[M+H-H2O]+ 218.11008 144.9
[M+HCOO]- 280.11102 175.3
[M+CH3COO]- 294.12667 195.4
[M+Na-2H]- 256.08749 155.9
[M]+ 235.11227 149.0
[M]- 235.11337 149.0
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.