CID 77078449

1428629-70-2

Structural Information

Molecular Formula
C16H23NO8
SMILES
C#CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C16H23NO8/c1-2-6-21-8-10-23-12-13-24-11-9-22-7-5-16(20)25-17-14(18)3-4-15(17)19/h1H,3-13H2
InChIKey
GRIZGOGILWMGRU-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

357.14236 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14964 169.7
[M+Na]+ 380.13158 176.0
[M-H]- 356.13508 169.1
[M+NH4]+ 375.17618 180.8
[M+K]+ 396.10552 174.6
[M+H-H2O]+ 340.13962 155.9
[M+HCOO]- 402.14056 184.4
[M+CH3COO]- 416.15621 215.5
[M+Na-2H]- 378.11703 168.8
[M]+ 357.14181 173.0
[M]- 357.14291 173.0
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

patents stripe