CID 40524

2-adamantanol, 1-(3-methylaminopropyl)-, hydrochloride

Structural Information

Molecular Formula
C14H25NO
SMILES
CNCCCC12CC3CC(C1)CC(C3)C2O
InChI
InChI=1S/C14H25NO/c1-15-4-2-3-14-8-10-5-11(9-14)7-12(6-10)13(14)16/h10-13,15-16H,2-9H2,1H3
InChIKey
XZDHHVDWBFIOLS-UHFFFAOYSA-N
Compound name
1-[3-(methylamino)propyl]adamantan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.19362 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.200896 155.2
[M+Na]+ 246.182838 156.5
[M-H]- 222.186344 149.0
[M+NH4]+ 241.227443 179.6
[M+K]+ 262.156778 152.7
[M+H-H2O]+ 206.190880 149.4
[M+HCOO]- 268.191821 161.5
[M+CH3COO]- 282.207471 162.9
[M+Na-2H]- 244.168286 165.0
[M]+ 223.19307142 154.6
[M]- 223.19416858 154.6
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.