CID 94896

N-butyldodecanamide

Structural Information

Molecular Formula
C16H33NO
SMILES
CCCCCCCCCCCC(=O)NCCCC
InChI
InChI=1S/C16H33NO/c1-3-5-7-8-9-10-11-12-13-14-16(18)17-15-6-4-2/h3-15H2,1-2H3,(H,17,18)
InChIKey
NTHVNXBUGUHNAH-UHFFFAOYSA-N
Compound name
N-butyldodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

267
Patents

255.25621 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.26349 171.0
[M+Na]+ 278.24543 173.3
[M-H]- 254.24893 169.5
[M+NH4]+ 273.29003 187.9
[M+K]+ 294.21937 170.8
[M+H-H2O]+ 238.25347 164.3
[M+HCOO]- 300.25441 192.0
[M+CH3COO]- 314.27006 203.5
[M+Na-2H]- 276.23088 171.7
[M]+ 255.25566 175.3
[M]- 255.25676 175.3
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