CID 10349553

[4-(carbamimidamidomethyl)phenyl]boronic acid hydrochloride

Structural Information

Molecular Formula
C8H12BN3O2
SMILES
B(C1=CC=C(C=C1)CN=C(N)N)(O)O
InChI
InChI=1S/C8H12BN3O2/c10-8(11)12-5-6-1-3-7(4-2-6)9(13)14/h1-4,13-14H,5H2,(H4,10,11,12)
InChIKey
AJHZTPULNIOMAE-UHFFFAOYSA-N
Compound name
[4-[(diaminomethylideneamino)methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.10226 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10954 140.6
[M+Na]+ 216.09148 145.7
[M-H]- 192.09498 142.0
[M+NH4]+ 211.13608 157.8
[M+K]+ 232.06542 143.8
[M+H-H2O]+ 176.09952 133.9
[M+HCOO]- 238.10046 164.1
[M+CH3COO]- 252.11611 187.7
[M+Na-2H]- 214.07693 143.9
[M]+ 193.10171 135.4
[M]- 193.10281 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.