CID 606427

Naphtho[3,4:2,3]bornene

Structural Information

Molecular Formula
C18H20
SMILES
CC1(C2CCC1(C3=C2C4=CC=CC=C4C=C3)C)C
InChI
InChI=1S/C18H20/c1-17(2)14-10-11-18(17,3)15-9-8-12-6-4-5-7-13(12)16(14)15/h4-9,14H,10-11H2,1-3H3
InChIKey
QWRZOBAOGQBVIH-UHFFFAOYSA-N
Compound name
12,15,15-trimethyltetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.1565 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.163776 158.0
[M+Na]+ 259.145718 169.0
[M-H]- 235.149224 163.8
[M+NH4]+ 254.190323 187.6
[M+K]+ 275.119658 162.4
[M+H-H2O]+ 219.153760 152.7
[M+HCOO]- 281.154701 177.4
[M+CH3COO]- 295.170351 171.6
[M+Na-2H]- 257.131166 163.0
[M]+ 236.15595142 159.5
[M]- 236.15704858 159.5
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.