CID 40433

Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride

Structural Information

Molecular Formula
C16H29N
SMILES
CN(C)CCCCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C16H29N/c1-17(2)6-4-3-5-16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,3-12H2,1-2H3
InChIKey
HZXGEQMCULUUGD-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.23 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.237276 161.6
[M+Na]+ 258.219218 161.4
[M-H]- 234.222724 157.2
[M+NH4]+ 253.263823 186.4
[M+K]+ 274.193158 158.5
[M+H-H2O]+ 218.227260 154.5
[M+HCOO]- 280.228201 168.9
[M+CH3COO]- 294.243851 169.2
[M+Na-2H]- 256.204666 170.0
[M]+ 235.22945142 162.2
[M]- 235.23054858 162.2
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.