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

1
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

patents stripe