CID 16076240

N-(1-adamantylmethyl)-n'-(1,1,3,3-tetramethylbutyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C21H40N2
SMILES
CC(C)(C)CC(C)(C)NCCNCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C21H40N2/c1-19(2,3)14-20(4,5)23-7-6-22-15-21-11-16-8-17(12-21)10-18(9-16)13-21/h16-18,22-23H,6-15H2,1-5H3
InChIKey
QMIHKOCJCLPXOY-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.31915 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.32643 191.1
[M+Na]+ 343.30837 188.7
[M-H]- 319.31187 184.3
[M+NH4]+ 338.35297 211.8
[M+K]+ 359.28231 185.0
[M+H-H2O]+ 303.31641 185.0
[M+HCOO]- 365.31735 193.8
[M+CH3COO]- 379.33300 223.5
[M+Na-2H]- 341.29382 200.1
[M]+ 320.31860 190.9
[M]- 320.31970 190.9
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.