CID 90362390

Tris(2-cyanoethyl) borate

Structural Information

Molecular Formula
C9H12BN3O3
SMILES
B(OCCC#N)(OCCC#N)OCCC#N
InChI
InChI=1S/C9H12BN3O3/c11-4-1-7-14-10(15-8-2-5-12)16-9-3-6-13/h1-3,7-9H2
InChIKey
QRJXIXWHPANYDU-UHFFFAOYSA-N
Compound name
tris(2-cyanoethyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

221.09717 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10445 158.3
[M+Na]+ 244.08639 164.7
[M-H]- 220.08989 161.6
[M+NH4]+ 239.13099 165.7
[M+K]+ 260.06033 164.2
[M+H-H2O]+ 204.09443 145.6
[M+HCOO]- 266.09537 164.1
[M+CH3COO]- 280.11102 236.2
[M+Na-2H]- 242.07184 158.0
[M]+ 221.09662 153.0
[M]- 221.09772 153.0
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