CID 22840767

Myristyl pca

Structural Information

Molecular Formula
C19H35NO3
SMILES
CCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-19(22)17-14-15-18(21)20-17/h17H,2-16H2,1H3,(H,20,21)/t17-/m0/s1
InChIKey
PMWMXMYOKCFDIB-KRWDZBQOSA-N
Compound name
tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

325.2617 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.26898 186.9
[M+Na]+ 348.25092 188.5
[M-H]- 324.25442 185.2
[M+NH4]+ 343.29552 200.6
[M+K]+ 364.22486 184.6
[M+H-H2O]+ 308.25896 178.9
[M+HCOO]- 370.25990 203.1
[M+CH3COO]- 384.27555 207.7
[M+Na-2H]- 346.23637 183.1
[M]+ 325.26115 189.4
[M]- 325.26225 189.4
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