CID 6441790

Prostaglandin d-m

Structural Information

Molecular Formula
C16H22O7
SMILES
C1[C@@H]([C@@H]([C@H](C1=O)CCC(=O)CCC(=O)O)C/C=C\CC(=O)O)O
InChI
InChI=1S/C16H22O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,11-13,18H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t11-,12-,13+/m1/s1
InChIKey
QRKPLLLQZJCOLR-BWEANOATSA-N
Compound name
6-[(1R,2R,3S)-2-[(Z)-4-carboxybut-2-enyl]-3-hydroxy-5-oxocyclopentyl]-4-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

20
Patents

326.13657 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14385 174.6
[M+Na]+ 349.12579 178.2
[M-H]- 325.12929 173.0
[M+NH4]+ 344.17039 187.9
[M+K]+ 365.09973 175.1
[M+H-H2O]+ 309.13383 169.2
[M+HCOO]- 371.13477 189.3
[M+CH3COO]- 385.15042 202.1
[M+Na-2H]- 347.11124 168.7
[M]+ 326.13602 174.9
[M]- 326.13712 174.9
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.