CID 57349501

37673-32-8

Structural Information

Molecular Formula
C22H41NO3
SMILES
CCCCCCCCC(CCCCCCCC)OC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C22H41NO3/c1-3-5-7-9-11-13-15-19(16-14-12-10-8-6-4-2)26-22(25)20-17-18-21(24)23-20/h19-20H,3-18H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKey
JSEKZIVVPNHCBT-FQEVSTJZSA-N
Compound name
heptadecan-9-yl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.30865 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.315926 200.8
[M+Na]+ 390.297868 200.8
[M-H]- 366.301374 198.6
[M+NH4]+ 385.342473 212.6
[M+K]+ 406.271808 196.7
[M+H-H2O]+ 350.305910 192.5
[M+HCOO]- 412.306851 214.9
[M+CH3COO]- 426.322501 217.4
[M+Na-2H]- 388.283316 194.2
[M]+ 367.30810142 203.7
[M]- 367.30919858 203.7
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.