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

25
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

literature stripe

Patent stripe

patents stripe