CID 155967

N-octyldecylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

269.30826 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.315536 177.0
[M+Na]+ 292.297478 178.4
[M-H]- 268.300984 175.0
[M+NH4]+ 287.342083 193.5
[M+K]+ 308.271418 175.0
[M+H-H2O]+ 252.305520 170.0
[M+HCOO]- 314.306461 197.8
[M+CH3COO]- 328.322111 208.4
[M+Na-2H]- 290.282926 177.9
[M]+ 269.30771142 182.1
[M]- 269.30880858 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