CID 189405

1-hexadecylazepan-2-one

Structural Information

Molecular Formula
C22H43NO
SMILES
CCCCCCCCCCCCCCCCN1CCCCCC1=O
InChI
InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-21-18-15-16-19-22(23)24/h2-21H2,1H3
InChIKey
LYQYWEFFQIZYDP-UHFFFAOYSA-N
Compound name
1-hexadecylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

337.33447 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.34175 185.5
[M+Na]+ 360.32369 183.9
[M-H]- 336.32719 185.6
[M+NH4]+ 355.36829 196.7
[M+K]+ 376.29763 183.7
[M+H-H2O]+ 320.33173 177.0
[M+HCOO]- 382.33267 199.9
[M+CH3COO]- 396.34832 216.2
[M+Na-2H]- 358.30914 183.3
[M]+ 337.33392 184.2
[M]- 337.33502 184.2
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

patents stripe