CID 22315744

N1-(adamantan-2-yl)ethane-1,2-diamine

Structural Information

Molecular Formula
C12H22N2
SMILES
C1C2CC3CC1CC(C2)C3NCCN
InChI
InChI=1S/C12H22N2/c13-1-2-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,14H,1-7,13H2
InChIKey
LSZAYCTUPPKNOV-UHFFFAOYSA-N
Compound name
N'-(2-adamantyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

194.1783 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.18558 143.1
[M+Na]+ 217.16752 143.9
[M-H]- 193.17102 137.8
[M+NH4]+ 212.21212 166.9
[M+K]+ 233.14146 140.9
[M+H-H2O]+ 177.17556 137.7
[M+HCOO]- 239.17650 152.1
[M+CH3COO]- 253.19215 151.5
[M+Na-2H]- 215.15297 153.3
[M]+ 194.17775 140.5
[M]- 194.17885 140.5
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