CID 15793

Octadecylamine

Structural Information

Molecular Formula
C18H39N
SMILES
CCCCCCCCCCCCCCCCCCN
InChI
InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
InChIKey
REYJJPSVUYRZGE-UHFFFAOYSA-N
Compound name
octadecan-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

582
References

121795
Patents

269.30826 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.31554 177.3
[M+Na]+ 292.29748 178.6
[M-H]- 268.30098 174.7
[M+NH4]+ 287.34208 193.4
[M+K]+ 308.27142 174.8
[M+H-H2O]+ 252.30552 170.2
[M+HCOO]- 314.30646 197.5
[M+CH3COO]- 328.32211 207.7
[M+Na-2H]- 290.28293 177.1
[M]+ 269.30771 181.3
[M]- 269.30881 181.3
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