CID 135027

Bicyclo[2.2.1]heptan-2-ylmethanamine hydrochloride

Structural Information

Molecular Formula
C20H27NO
SMILES
CCC(C(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C20H27NO/c1-4-19(22)20(15-16(2)21-3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21-22H,4,15H2,1-3H3
InChIKey
KYHAUJGXNUJCTC-UHFFFAOYSA-N
Compound name
6-(methylamino)-4,4-diphenylheptan-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

28
References

44
Patents

297.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 174.7
[M+Na]+ 320.19848 177.2
[M-H]- 296.20198 178.8
[M+NH4]+ 315.24308 188.3
[M+K]+ 336.17242 173.0
[M+H-H2O]+ 280.20652 166.8
[M+HCOO]- 342.20746 193.2
[M+CH3COO]- 356.22311 206.4
[M+Na-2H]- 318.18393 177.8
[M]+ 297.20871 173.0
[M]- 297.20981 173.0
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.