CID 6328746

Nsc 149965

Structural Information

Molecular Formula
C6H14B2N2
SMILES
[B-][N+]1(CC[N+](CC1)([B-])C)C
InChI
InChI=1S/C6H14B2N2/c1-9(7)3-5-10(2,8)6-4-9/h3-6H2,1-2H3
InChIKey
KICNLZREZGWOSV-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.13431 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.14159 127.0
[M+Na]+ 159.12353 133.6
[M-H]- 135.12703 125.4
[M+NH4]+ 154.16813 148.4
[M+K]+ 175.09747 122.7
[M+H-H2O]+ 119.13157 131.9
[M+HCOO]- 181.13251 142.9
[M+CH3COO]- 195.14816 158.1
[M+Na-2H]- 157.10898 136.8
[M]+ 136.13376 116.4
[M]- 136.13486 116.4
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.