CID 6453684

Dtxsid80974255

Structural Information

Molecular Formula
C21H37NO4
SMILES
CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCC1=O)C(=O)O
InChI
InChI=1S/C21H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(25)26)16-17-20(22)24/h18H,2-17H2,1H3,(H,25,26)/t18-/m0/s1
InChIKey
NYYMWQSYRBSAEP-SFHVURJKSA-N
Compound name
(2S)-1-hexadecanoyl-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.27225 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.27953 196.6
[M+Na]+ 390.26147 198.2
[M-H]- 366.26497 195.1
[M+NH4]+ 385.30607 208.7
[M+K]+ 406.23541 194.3
[M+H-H2O]+ 350.26951 188.8
[M+HCOO]- 412.27045 211.6
[M+CH3COO]- 426.28610 216.9
[M+Na-2H]- 388.24692 190.3
[M]+ 367.27170 200.4
[M]- 367.27280 200.4
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

No patent data available for this compound.