CID 125516

Miridesap

Structural Information

Molecular Formula
C16H24N2O6
SMILES
C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O
InChI
InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1
InChIKey
HZLAWYIBLZNRFZ-VXGBXAGGSA-N
Compound name
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

445
Patents

340.16342 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17070 180.6
[M+Na]+ 363.15264 182.2
[M-H]- 339.15614 181.0
[M+NH4]+ 358.19724 192.5
[M+K]+ 379.12658 180.9
[M+H-H2O]+ 323.16068 173.5
[M+HCOO]- 385.16162 192.4
[M+CH3COO]- 399.17727 204.1
[M+Na-2H]- 361.13809 172.8
[M]+ 340.16287 177.5
[M]- 340.16397 177.5
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