CID 516157

1-(2-aminopropyl)adamantan-2-ol

Structural Information

Molecular Formula
C13H23NO
SMILES
CC(CC12CC3CC(C1)CC(C3)C2O)N
InChI
InChI=1S/C13H23NO/c1-8(14)5-13-6-9-2-10(7-13)4-11(3-9)12(13)15/h8-12,15H,2-7,14H2,1H3
InChIKey
SRSNNEPDAVXIDR-UHFFFAOYSA-N
Compound name
1-(2-aminopropyl)adamantan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

209.17796 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.18524 153.4
[M+Na]+ 232.16718 154.9
[M-H]- 208.17068 146.9
[M+NH4]+ 227.21178 178.1
[M+K]+ 248.14112 151.5
[M+H-H2O]+ 192.17522 148.3
[M+HCOO]- 254.17616 158.3
[M+CH3COO]- 268.19181 161.1
[M+Na-2H]- 230.15263 161.5
[M]+ 209.17741 151.0
[M]- 209.17851 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.