CID 36016

31898-13-2

Structural Information

Molecular Formula
C14H25NO
SMILES
CC(CC12CC3CC(C1)CC(C3)(C2)O)NC
InChI
InChI=1S/C14H25NO/c1-10(15-2)4-13-5-11-3-12(6-13)8-14(16,7-11)9-13/h10-12,15-16H,3-9H2,1-2H3
InChIKey
STEFEEAVJHCPMZ-UHFFFAOYSA-N
Compound name
3-[2-(methylamino)propyl]adamantan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.19362 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.200896 157.5
[M+Na]+ 246.182838 158.9
[M-H]- 222.186344 151.2
[M+NH4]+ 241.227443 183.5
[M+K]+ 262.156778 155.3
[M+H-H2O]+ 206.190880 151.5
[M+HCOO]- 268.191821 162.6
[M+CH3COO]- 282.207471 165.0
[M+Na-2H]- 244.168286 167.4
[M]+ 223.19307142 156.3
[M]- 223.19416858 156.3
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.