CID 10945359

64081-12-5

Structural Information

Molecular Formula
C18H31B
SMILES
[B-]1(C2CCCC1CCC2)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C
InChI
InChI=1S/C18H31B/c1-12-16-10-13(18(16,2)3)11-17(12)19-14-6-4-7-15(19)9-5-8-14/h12-17H,4-11H2,1-3H3/q-1/t12-,13+,14?,15?,16-,17-/m1/s1
InChIKey
JUZQZOWPGMQTGO-CJGYBVCLSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.2519 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.25918 167.8
[M+Na]+ 281.24112 168.4
[M-H]- 257.24462 166.0
[M+NH4]+ 276.28572 184.8
[M+K]+ 297.21506 166.6
[M+H-H2O]+ 241.24916 158.5
[M+HCOO]- 303.25010 171.0
[M+CH3COO]- 317.26575 206.7
[M+Na-2H]- 279.22657 170.6
[M]+ 258.25135 169.7
[M]- 258.25245 169.7
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.