CID 5275521

Geranylgeranoic acid

Structural Information

Molecular Formula
C20H32O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C(=O)O)/C)/C)/C)C
InChI
InChI=1S/C20H32O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h9,11,13,15H,6-8,10,12,14H2,1-5H3,(H,21,22)/b17-11+,18-13+,19-15+
InChIKey
SZNLKILVMCHHSD-OZFNKYQOSA-N
Compound name
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

212
Patents

304.24023 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.247506 182.6
[M+Na]+ 327.229448 184.5
[M-H]- 303.232954 179.7
[M+NH4]+ 322.274053 196.9
[M+K]+ 343.203388 180.0
[M+H-H2O]+ 287.237490 176.9
[M+HCOO]- 349.238431 197.0
[M+CH3COO]- 363.254081 207.7
[M+Na-2H]- 325.214896 175.8
[M]+ 304.23968142 183.2
[M]- 304.24077858 183.2
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