CID 211189

Valeramide, n,n-dibutyl-2-propyl-

Structural Information

Molecular Formula
C16H33NO
SMILES
CCCCN(CCCC)C(=O)C(CCC)CCC
InChI
InChI=1S/C16H33NO/c1-5-9-13-17(14-10-6-2)16(18)15(11-7-3)12-8-4/h15H,5-14H2,1-4H3
InChIKey
YJJHHUIJWCCSFA-UHFFFAOYSA-N
Compound name
N,N-dibutyl-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.25621 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.26349 172.0
[M+Na]+ 278.24543 174.3
[M-H]- 254.24893 172.1
[M+NH4]+ 273.29003 189.5
[M+K]+ 294.21937 173.6
[M+H-H2O]+ 238.25347 165.3
[M+HCOO]- 300.25441 192.5
[M+CH3COO]- 314.27006 207.8
[M+Na-2H]- 276.23088 170.6
[M]+ 255.25566 176.9
[M]- 255.25676 176.9
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.