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

2
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

patents stripe