CID 16784844

1-(adamantan-1-yl)-2-(morpholin-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C16H28N2O
SMILES
C1COCCN1CC(C23CC4CC(C2)CC(C4)C3)N
InChI
InChI=1S/C16H28N2O/c17-15(11-18-1-3-19-4-2-18)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15H,1-11,17H2
InChIKey
VVMFFKSKIAIBCM-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-morpholin-4-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.22015 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.22743 159.4
[M+Na]+ 287.20937 157.4
[M-H]- 263.21287 154.8
[M+NH4]+ 282.25397 178.9
[M+K]+ 303.18331 155.1
[M+H-H2O]+ 247.21741 150.2
[M+HCOO]- 309.21835 160.1
[M+CH3COO]- 323.23400 165.1
[M+Na-2H]- 285.19482 167.0
[M]+ 264.21960 153.6
[M]- 264.22070 153.6
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.