CID 495783

2,2-diphenyl-1-oxa-3-aza-2-boranuidacyclohexane

Structural Information

Molecular Formula
C15H17BNO
SMILES
[B-]1(NCCCO1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H17BNO/c1-3-8-14(9-4-1)16(17-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,17H,7,12-13H2/q-1
InChIKey
KYILOHWHNSVLQE-UHFFFAOYSA-N
Compound name
2,2-diphenyl-1-oxa-3-aza-2-boranuidacyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14032 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14760 150.3
[M+Na]+ 261.12954 154.2
[M-H]- 237.13304 155.2
[M+NH4]+ 256.17414 164.7
[M+K]+ 277.10348 150.6
[M+H-H2O]+ 221.13758 143.4
[M+HCOO]- 283.13852 167.0
[M+CH3COO]- 297.15417 183.3
[M+Na-2H]- 259.11499 157.2
[M]+ 238.13977 141.5
[M]- 238.14087 141.5
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.