CID 15384561

59441-32-6

Structural Information

Molecular Formula
C21H39NO3
SMILES
CCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)22-18-15-16-19(22)21(24)25/h19H,2-18H2,1H3,(H,24,25)/t19-/m0/s1
InChIKey
XOAIXMQPJQVGRV-IBGZPJMESA-N
Compound name
(2S)-1-hexadecanoylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1222
Patents

353.293 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.30028 194.8
[M+Na]+ 376.28222 199.9
[M+NH4]+ 371.32682 198.7
[M+K]+ 392.25616 195.4
[M-H]- 352.28572 192.5
[M+Na-2H]- 374.26767 193.0
[M]+ 353.29245 194.2
[M]- 353.29355 194.2
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

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