CID 48382

Adamantane, 1,3-bis(2-methylaminopropyl)-

Structural Information

Molecular Formula
C18H34N2
SMILES
CC(CC12CC3CC(C1)CC(C3)(C2)CC(C)NC)NC
InChI
InChI=1S/C18H34N2/c1-13(19-3)6-17-8-15-5-16(9-17)11-18(10-15,12-17)7-14(2)20-4/h13-16,19-20H,5-12H2,1-4H3
InChIKey
SNRPTKVWHWQMME-UHFFFAOYSA-N
Compound name
N-methyl-1-[3-[2-(methylamino)propyl]-1-adamantyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2722 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.27948 174.3
[M+Na]+ 301.26142 173.1
[M-H]- 277.26492 168.1
[M+NH4]+ 296.30602 198.3
[M+K]+ 317.23536 169.7
[M+H-H2O]+ 261.26946 167.4
[M+HCOO]- 323.27040 179.1
[M+CH3COO]- 337.28605 180.1
[M+Na-2H]- 299.24687 181.6
[M]+ 278.27165 173.1
[M]- 278.27275 173.1
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.