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

No literature data available for this compound.

Patent stripe

patents stripe