CID 247220

70974-48-0

Structural Information

Molecular Formula
C20H39NO
SMILES
CCCCCCCCCCCCCCCC(=O)N1CCCC1
InChI
InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h2-19H2,1H3
InChIKey
ULDNZNZTSYZQKK-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-ylhexadecan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

23
Patents

309.30316 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.31044 187.5
[M+Na]+ 332.29238 188.1
[M-H]- 308.29588 186.6
[M+NH4]+ 327.33698 202.4
[M+K]+ 348.26632 184.3
[M+H-H2O]+ 292.30042 178.9
[M+HCOO]- 354.30136 204.2
[M+CH3COO]- 368.31701 209.2
[M+Na-2H]- 330.27783 184.0
[M]+ 309.30261 189.7
[M]- 309.30371 189.7
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.