CID 40435

Adamantane, 1-(3-dimethylaminobutyl)-, hydrochloride

Structural Information

Molecular Formula
C16H29N
SMILES
CC(CCC12CC3CC(C1)CC(C3)C2)N(C)C
InChI
InChI=1S/C16H29N/c1-12(17(2)3)4-5-16-9-13-6-14(10-16)8-15(7-13)11-16/h12-15H,4-11H2,1-3H3
InChIKey
LBVMYBIPIGSHEY-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N,N-dimethylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.23 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.23728 162.8
[M+Na]+ 258.21922 162.2
[M-H]- 234.22272 158.4
[M+NH4]+ 253.26382 187.5
[M+K]+ 274.19316 159.9
[M+H-H2O]+ 218.22726 156.0
[M+HCOO]- 280.22820 169.0
[M+CH3COO]- 294.24385 170.2
[M+Na-2H]- 256.20467 170.0
[M]+ 235.22945 162.8
[M]- 235.23055 162.8
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.