CID 499480

Nsc680213

Structural Information

Molecular Formula
C7H18BN2O2
SMILES
[B-]1(=C(O)O)[N+](CC[N+]1(C)C)(C)C
InChI
InChI=1S/C7H17BN2O2/c1-9(2)5-6-10(3,4)8(9)7(11)12/h5-6H2,1-4H3,(H-,11,12)/p+1
InChIKey
YSHNYZIGZVWJFQ-UHFFFAOYSA-O
Compound name
(1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-ylidene)methanediol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14613 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.15341 132.5
[M+Na]+ 196.13535 140.5
[M-H]- 172.13885 130.3
[M+NH4]+ 191.17995 154.0
[M+K]+ 212.10929 127.8
[M+H-H2O]+ 156.14339 136.6
[M+HCOO]- 218.14433 147.8
[M+CH3COO]- 232.15998 157.6
[M+Na-2H]- 194.12080 140.6
[M]+ 173.14558 124.1
[M]- 173.14668 124.1
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.