CID 218532

Pentanamide, 2-propyl-n-(2-propylpentyl)-

Structural Information

Molecular Formula
C16H33NO
SMILES
CCCC(CCC)CNC(=O)C(CCC)CCC
InChI
InChI=1S/C16H33NO/c1-5-9-14(10-6-2)13-17-16(18)15(11-7-3)12-8-4/h14-15H,5-13H2,1-4H3,(H,17,18)
InChIKey
TWEPVARUEREPAN-UHFFFAOYSA-N
Compound name
2-propyl-N-(2-propylpentyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.25621 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.26349 172.5
[M+Na]+ 278.24543 174.4
[M-H]- 254.24893 171.1
[M+NH4]+ 273.29003 189.3
[M+K]+ 294.21937 172.8
[M+H-H2O]+ 238.25347 166.0
[M+HCOO]- 300.25441 191.4
[M+CH3COO]- 314.27006 205.1
[M+Na-2H]- 276.23088 170.5
[M]+ 255.25566 175.4
[M]- 255.25676 175.4
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.