CID 168808

Isononanamine, n-isononyl-

Structural Information

Molecular Formula
C18H39N
SMILES
CC(C)CCCCCCNCCCCCCC(C)C
InChI
InChI=1S/C18H39N/c1-17(2)13-9-5-7-11-15-19-16-12-8-6-10-14-18(3)4/h17-19H,5-16H2,1-4H3
InChIKey
KHFRJOPGKUBZLL-UHFFFAOYSA-N
Compound name
7-methyl-N-(7-methyloctyl)octan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

595
Patents

269.30826 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.315536 179.3
[M+Na]+ 292.297478 180.2
[M-H]- 268.300984 177.4
[M+NH4]+ 287.342083 195.6
[M+K]+ 308.271418 177.7
[M+H-H2O]+ 252.305520 172.4
[M+HCOO]- 314.306461 198.1
[M+CH3COO]- 328.322111 209.9
[M+Na-2H]- 290.282926 177.5
[M]+ 269.30771142 183.0
[M]- 269.30880858 183.0
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