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]+ 224.20090 157.5
[M+Na]+ 246.18284 158.9
[M-H]- 222.18634 151.2
[M+NH4]+ 241.22744 183.5
[M+K]+ 262.15678 155.3
[M+H-H2O]+ 206.19088 151.5
[M+HCOO]- 268.19182 162.6
[M+CH3COO]- 282.20747 165.0
[M+Na-2H]- 244.16829 167.4
[M]+ 223.19307 156.3
[M]- 223.19417 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.