CID 137942376

3-(2-methoxyethyl)bicyclo[1.1.1]pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
COCCC12CC(C1)(C2)N
InChI
InChI=1S/C8H15NO/c1-10-3-2-7-4-8(9,5-7)6-7/h2-6,9H2,1H3
InChIKey
KHLMBHAHHYQEFE-UHFFFAOYSA-N
Compound name
3-(2-methoxyethyl)bicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

141.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 150.6
[M+Na]+ 164.10459 154.1
[M-H]- 140.10809 153.6
[M+NH4]+ 159.14919 157.6
[M+K]+ 180.07853 159.9
[M+H-H2O]+ 124.11263 137.6
[M+HCOO]- 186.11357 164.3
[M+CH3COO]- 200.12922 206.2
[M+Na-2H]- 162.09004 157.2
[M]+ 141.11482 175.0
[M]- 141.11592 175.0
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

patents stripe