CID 14160539

Gibberellin a65

Structural Information

Molecular Formula
C20H26O6
SMILES
CC1(CCCC2(C1C(C34C2CCC(C3)C(=C)C4O)C(=O)O)C=O)C(=O)O
InChI
InChI=1S/C20H26O6/c1-10-11-4-5-12-19(9-21)7-3-6-18(2,17(25)26)14(19)13(16(23)24)20(12,8-11)15(10)22/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)
InChIKey
XIYAYYIGCSWTQO-UHFFFAOYSA-N
Compound name
8-formyl-14-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

362.17294 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18022 185.0
[M+Na]+ 385.16216 190.6
[M-H]- 361.16566 185.1
[M+NH4]+ 380.20676 207.8
[M+K]+ 401.13610 185.2
[M+H-H2O]+ 345.17020 183.3
[M+HCOO]- 407.17114 191.0
[M+CH3COO]- 421.18679 211.0
[M+Na-2H]- 383.14761 183.4
[M]+ 362.17239 181.1
[M]- 362.17349 181.1
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.