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

45
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

literature stripe

Patent stripe

patents stripe