CID 516158

3-(2-aminopropyl)adamantan-1-ol

Structural Information

Molecular Formula
C13H23NO
SMILES
CC(CC12CC3CC(C1)CC(C3)(C2)O)N
InChI
InChI=1S/C13H23NO/c1-9(14)3-12-4-10-2-11(5-12)7-13(15,6-10)8-12/h9-11,15H,2-8,14H2,1H3
InChIKey
COHUKGMKQQFKKP-UHFFFAOYSA-N
Compound name
3-(2-aminopropyl)adamantan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

209.17796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.18524 154.5
[M+Na]+ 232.16718 156.4
[M-H]- 208.17068 148.0
[M+NH4]+ 227.21178 180.9
[M+K]+ 248.14112 152.8
[M+H-H2O]+ 192.17522 148.9
[M+HCOO]- 254.17616 159.4
[M+CH3COO]- 268.19181 162.2
[M+Na-2H]- 230.15263 163.9
[M]+ 209.17741 152.1
[M]- 209.17851 152.1
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

patents stripe