CID 16076561

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

Structural Information

Molecular Formula
C17H32N2
SMILES
CCCCCNCCNC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C17H32N2/c1-2-3-4-5-18-6-7-19-17-11-14-8-15(12-17)10-16(9-14)13-17/h14-16,18-19H,2-13H2,1H3
InChIKey
JKIBLWNAESKAOQ-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-pentylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.25656 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.26384 165.1
[M+Na]+ 287.24578 163.8
[M-H]- 263.24928 158.9
[M+NH4]+ 282.29038 187.8
[M+K]+ 303.21972 159.7
[M+H-H2O]+ 247.25382 158.0
[M+HCOO]- 309.25476 172.7
[M+CH3COO]- 323.27041 171.4
[M+Na-2H]- 285.23123 174.8
[M]+ 264.25601 164.6
[M]- 264.25711 164.6
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.