CID 6430518

N-(14-methylhexadecanoyl)pyrrolidine

Structural Information

Molecular Formula
C21H41NO
SMILES
CCC(C)CCCCCCCCCCCCC(=O)N1CCCC1
InChI
InChI=1S/C21H41NO/c1-3-20(2)16-12-10-8-6-4-5-7-9-11-13-17-21(23)22-18-14-15-19-22/h20H,3-19H2,1-2H3
InChIKey
VRAFLAJRBDTYBS-UHFFFAOYSA-N
Compound name
14-methyl-1-pyrrolidin-1-ylhexadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

323.31882 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.32610 192.7
[M+Na]+ 346.30804 192.6
[M-H]- 322.31154 191.8
[M+NH4]+ 341.35264 207.0
[M+K]+ 362.28198 189.1
[M+H-H2O]+ 306.31608 184.1
[M+HCOO]- 368.31702 208.1
[M+CH3COO]- 382.33267 212.9
[M+Na-2H]- 344.29349 187.5
[M]+ 323.31827 194.7
[M]- 323.31937 194.7
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

patents stripe