CID 47346

N-(13-methyltetradecyl)acetamide

Structural Information

Molecular Formula
C17H35NO
SMILES
CC(C)CCCCCCCCCCCCNC(=O)C
InChI
InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)
InChIKey
AMLDBWWQKYLAHJ-UHFFFAOYSA-N
Compound name
N-(13-methyltetradecyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

105
Patents

269.27185 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.27913 176.4
[M+Na]+ 292.26107 178.1
[M-H]- 268.26457 174.8
[M+NH4]+ 287.30567 192.7
[M+K]+ 308.23501 175.8
[M+H-H2O]+ 252.26911 169.6
[M+HCOO]- 314.27005 196.1
[M+CH3COO]- 328.28570 207.2
[M+Na-2H]- 290.24652 175.2
[M]+ 269.27130 180.4
[M]- 269.27240 180.4
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