CID 40435

52582-86-2

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]+ 236.237276 162.8
[M+Na]+ 258.219218 162.2
[M-H]- 234.222724 158.4
[M+NH4]+ 253.263823 187.5
[M+K]+ 274.193158 159.9
[M+H-H2O]+ 218.227260 156.0
[M+HCOO]- 280.228201 169.0
[M+CH3COO]- 294.243851 170.2
[M+Na-2H]- 256.204666 170.0
[M]+ 235.22945142 162.8
[M]- 235.23054858 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.