CID 35978

Adamantane, 1-(2-dimethylaminopropyl)-3,5,7-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C18H33N
SMILES
CC(CC12CC3(CC(C1)(CC(C3)(C2)C)C)C)N(C)C
InChI
InChI=1S/C18H33N/c1-14(19(5)6)7-18-11-15(2)8-16(3,12-18)10-17(4,9-15)13-18/h14H,7-13H2,1-6H3
InChIKey
YNWJDEOQMXHPBY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(3,5,7-trimethyl-1-adamantyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.2613 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.26858 172.0
[M+Na]+ 286.25052 174.4
[M-H]- 262.25402 168.1
[M+NH4]+ 281.29512 201.2
[M+K]+ 302.22446 171.1
[M+H-H2O]+ 246.25856 164.1
[M+HCOO]- 308.25950 177.0
[M+CH3COO]- 322.27515 179.6
[M+Na-2H]- 284.23597 180.3
[M]+ 263.26075 173.7
[M]- 263.26185 173.7
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.