CID 4229289

N-succinimidyl tetradecanoate

Structural Information

Molecular Formula
C18H31NO4
SMILES
CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)23-19-16(20)14-15-17(19)21/h2-15H2,1H3
InChIKey
NZEDHZOVUDEBGW-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

325.2253 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.23258 182.4
[M+Na]+ 348.21452 186.0
[M-H]- 324.21802 182.7
[M+NH4]+ 343.25912 196.9
[M+K]+ 364.18846 183.2
[M+H-H2O]+ 308.22256 174.7
[M+HCOO]- 370.22350 200.8
[M+CH3COO]- 384.23915 209.7
[M+Na-2H]- 346.19997 179.2
[M]+ 325.22475 187.6
[M]- 325.22585 187.6
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