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]+ 224.20090 155.2
[M+Na]+ 246.18284 156.5
[M-H]- 222.18634 149.0
[M+NH4]+ 241.22744 179.6
[M+K]+ 262.15678 152.7
[M+H-H2O]+ 206.19088 149.4
[M+HCOO]- 268.19182 161.5
[M+CH3COO]- 282.20747 162.9
[M+Na-2H]- 244.16829 165.0
[M]+ 223.19307 154.6
[M]- 223.19417 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.