CID 27697

Exp-561 monohydrate

Structural Information

Molecular Formula
C14H19N
SMILES
C1CC2(CCC1(CC2)C3=CC=CC=C3)N
InChI
InChI=1S/C14H19N/c15-14-9-6-13(7-10-14,8-11-14)12-4-2-1-3-5-12/h1-5H,6-11,15H2
InChIKey
JXMVQBDHMBOHDH-UHFFFAOYSA-N
Compound name
4-phenylbicyclo[2.2.2]octan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

33
Patents

201.15175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15903 146.1
[M+Na]+ 224.14097 150.3
[M-H]- 200.14447 145.5
[M+NH4]+ 219.18557 172.5
[M+K]+ 240.11491 145.9
[M+H-H2O]+ 184.14901 139.1
[M+HCOO]- 246.14995 158.5
[M+CH3COO]- 260.16560 156.3
[M+Na-2H]- 222.12642 158.6
[M]+ 201.15120 143.1
[M]- 201.15230 143.1
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