CID 43250

60305-22-8

Structural Information

Molecular Formula
C31H54
SMILES
CCC(C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C
InChI
InChI=1S/C31H54/c1-9-21(2)22-13-18-28(5)23(22)14-19-30(7)25(28)11-12-26-29(6)17-10-16-27(3,4)24(29)15-20-31(26,30)8/h21-26H,9-20H2,1-8H3
InChIKey
QFBGIDMRCNNMIW-UHFFFAOYSA-N
Compound name
3-butan-2-yl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.42255 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.42983 212.6
[M+Na]+ 449.41177 215.7
[M-H]- 425.41527 215.4
[M+NH4]+ 444.45637 237.3
[M+K]+ 465.38571 207.6
[M+H-H2O]+ 409.41981 202.7
[M+HCOO]- 471.42075 212.8
[M+CH3COO]- 485.43640 217.6
[M+Na-2H]- 447.39722 207.2
[M]+ 426.42200 203.3
[M]- 426.42310 203.3
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.