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]+ 265.227426 164.8
[M+Na]+ 287.209368 165.0
[M-H]- 263.212874 158.1
[M+NH4]+ 282.253973 184.7
[M+K]+ 303.183308 160.7
[M+H-H2O]+ 247.217410 155.2
[M+HCOO]- 309.218351 164.1
[M+CH3COO]- 323.234001 170.3
[M+Na-2H]- 285.194816 171.3
[M]+ 264.21960142 160.0
[M]- 264.22069858 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.