CID 16076663

N'-(1-adamantylmethyl)-n-pentyl-ethane-1,2-diamine

Structural Information

Molecular Formula
C18H34N2
SMILES
CCCCCNCCNCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C18H34N2/c1-2-3-4-5-19-6-7-20-14-18-11-15-8-16(12-18)10-17(9-15)13-18/h15-17,19-20H,2-14H2,1H3
InChIKey
ZKXPXIWWYASPII-UHFFFAOYSA-N
Compound name
N'-(1-adamantylmethyl)-N-pentylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2722 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.27948 169.5
[M+Na]+ 301.26142 167.7
[M-H]- 277.26492 163.1
[M+NH4]+ 296.30602 191.6
[M+K]+ 317.23536 163.4
[M+H-H2O]+ 261.26946 162.2
[M+HCOO]- 323.27040 176.7
[M+CH3COO]- 337.28605 175.4
[M+Na-2H]- 299.24687 178.6
[M]+ 278.27165 169.3
[M]- 278.27275 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.