CID 40819

C27 17a-hopane (tm)

Structural Information

Molecular Formula
C27H46
SMILES
CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC5)C)C)C)C)C
InChI
InChI=1S/C27H46/c1-23(2)14-8-16-25(4)20(23)13-18-27(6)22(25)11-10-21-24(3)15-7-9-19(24)12-17-26(21,27)5/h19-22H,7-18H2,1-6H3
InChIKey
WPKYQECPNNWDJY-UHFFFAOYSA-N
Compound name
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

28
Patents

370.35995 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.36723 198.6
[M+Na]+ 393.34917 202.9
[M-H]- 369.35267 202.2
[M+NH4]+ 388.39377 225.4
[M+K]+ 409.32311 194.9
[M+H-H2O]+ 353.35721 188.1
[M+HCOO]- 415.35815 201.4
[M+CH3COO]- 429.37380 205.1
[M+Na-2H]- 391.33462 196.4
[M]+ 370.35940 188.4
[M]- 370.36050 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe