CID 94761

Dinonylamine

Structural Information

Molecular Formula
C18H39N
SMILES
CCCCCCCCCNCCCCCCCCC
InChI
InChI=1S/C18H39N/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3
InChIKey
MFHKEJIIHDNPQE-UHFFFAOYSA-N
Compound name
N-nonylnonan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10568
Patents

269.30826 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.31554 177.0
[M+Na]+ 292.29748 178.4
[M-H]- 268.30098 175.0
[M+NH4]+ 287.34208 193.5
[M+K]+ 308.27142 175.0
[M+H-H2O]+ 252.30552 170.0
[M+HCOO]- 314.30646 197.8
[M+CH3COO]- 328.32211 208.4
[M+Na-2H]- 290.28293 177.9
[M]+ 269.30771 182.1
[M]- 269.30881 182.1
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