CID 818513

51545-05-2

Structural Information

Molecular Formula
C14H26N2
SMILES
C1C2CC3(CC1CC(C2)(C3)CCN)CCN
InChI
InChI=1S/C14H26N2/c15-3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-16/h11-12H,1-10,15-16H2
InChIKey
ABLOCEKNNGBRGT-UHFFFAOYSA-N
Compound name
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

222.2096 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.21688 156.0
[M+Na]+ 245.19882 157.6
[M-H]- 221.20232 150.0
[M+NH4]+ 240.24342 182.0
[M+K]+ 261.17276 153.3
[M+H-H2O]+ 205.20686 149.5
[M+HCOO]- 267.20780 163.3
[M+CH3COO]- 281.22345 163.6
[M+Na-2H]- 243.18427 166.0
[M]+ 222.20905 153.3
[M]- 222.21015 153.3
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