CID 45179

1,18-octadecanediamine

Structural Information

Molecular Formula
C18H40N2
SMILES
C(CCCCCCCCCN)CCCCCCCCN
InChI
InChI=1S/C18H40N2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-20H2
InChIKey
CJYCVQJRVSAFKB-UHFFFAOYSA-N
Compound name
octadecane-1,18-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5258
Patents

284.31915 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.32643 179.9
[M+Na]+ 307.30837 180.3
[M-H]- 283.31187 176.6
[M+NH4]+ 302.35297 194.7
[M+K]+ 323.28231 176.2
[M+H-H2O]+ 267.31641 172.2
[M+HCOO]- 329.31735 200.4
[M+CH3COO]- 343.33300 211.9
[M+Na-2H]- 305.29382 179.0
[M]+ 284.31860 182.0
[M]- 284.31970 182.0
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