CID 35404

Brn 2854347

Structural Information

Molecular Formula
C16H28N2O
SMILES
CN(C)CCCC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C16H28N2O/c1-18(2)5-3-4-15(19)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKey
RDNYAXPZLAGIDS-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-4-(dimethylamino)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.22015 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.22743 165.1
[M+Na]+ 287.20937 164.0
[M-H]- 263.21287 160.4
[M+NH4]+ 282.25397 188.3
[M+K]+ 303.18331 162.1
[M+H-H2O]+ 247.21741 158.3
[M+HCOO]- 309.21835 172.6
[M+CH3COO]- 323.23400 172.0
[M+Na-2H]- 285.19482 173.5
[M]+ 264.21960 165.4
[M]- 264.22070 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.