CID 14743562

Cuban-1-amine hydrochloride

Structural Information

Molecular Formula
C8H9N
SMILES
C12C3C4C1C5C2C3C45N
InChI
InChI=1S/C8H9N/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-7H,9H2
InChIKey
USXYBDQWZXOAGQ-UHFFFAOYSA-N
Compound name
cuban-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

119.0735 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 197.6
[M+Na]+ 142.06272 198.5
[M-H]- 118.06622 201.7
[M+NH4]+ 137.10732 194.2
[M+K]+ 158.03666 203.0
[M+H-H2O]+ 102.07076 185.4
[M+HCOO]- 164.07170 200.3
[M+CH3COO]- 178.08735 258.1
[M+Na-2H]- 140.04817 193.2
[M]+ 119.07295 216.6
[M]- 119.07405 216.6
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