CID 42972

59177-68-3

Structural Information

Molecular Formula
C16H28N2O
SMILES
CN1CCN(CC1)CC23CC4CC(C2)CC(C4)C3O
InChI
InChI=1S/C16H28N2O/c1-17-2-4-18(5-3-17)11-16-9-12-6-13(10-16)8-14(7-12)15(16)19/h12-15,19H,2-11H2,1H3
InChIKey
OARPTEVCRDPFQG-UHFFFAOYSA-N
Compound name
1-[(4-methylpiperazin-1-yl)methyl]adamantan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.22015 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.22743 164.8
[M+Na]+ 287.20937 165.0
[M-H]- 263.21287 158.1
[M+NH4]+ 282.25397 184.7
[M+K]+ 303.18331 160.7
[M+H-H2O]+ 247.21741 155.2
[M+HCOO]- 309.21835 164.1
[M+CH3COO]- 323.23400 170.3
[M+Na-2H]- 285.19482 171.3
[M]+ 264.21960 160.0
[M]- 264.22070 160.0
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.