CID 11182767

3-phenylbicyclo[1.1.1]pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H13N
SMILES
C1C2(CC1(C2)N)C3=CC=CC=C3
InChI
InChI=1S/C11H13N/c12-11-6-10(7-11,8-11)9-4-2-1-3-5-9/h1-5H,6-8,12H2
InChIKey
YCBHYVJNMCHXQG-UHFFFAOYSA-N
Compound name
3-phenylbicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

159.1048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 150.7
[M+Na]+ 182.09402 155.4
[M-H]- 158.09752 156.1
[M+NH4]+ 177.13862 157.3
[M+K]+ 198.06796 159.8
[M+H-H2O]+ 142.10206 136.2
[M+HCOO]- 204.10300 165.1
[M+CH3COO]- 218.11865 208.0
[M+Na-2H]- 180.07947 158.2
[M]+ 159.10425 173.3
[M]- 159.10535 173.3
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