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]+ 142.122646 150.6
[M+Na]+ 164.104588 154.1
[M-H]- 140.108094 153.6
[M+NH4]+ 159.149193 157.6
[M+K]+ 180.078528 159.9
[M+H-H2O]+ 124.112630 137.6
[M+HCOO]- 186.113571 164.3
[M+CH3COO]- 200.129221 206.2
[M+Na-2H]- 162.090036 157.2
[M]+ 141.11482142 175.0
[M]- 141.11591858 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