CID 137942379

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

Structural Information

Molecular Formula
C9H17NO
SMILES
CCOCCC12CC(C1)(C2)N
InChI
InChI=1S/C9H17NO/c1-2-11-4-3-8-5-9(10,6-8)7-8/h2-7,10H2,1H3
InChIKey
XGCRJNRAMOBXSN-UHFFFAOYSA-N
Compound name
3-(2-ethoxyethyl)bicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 154.7
[M+Na]+ 178.12023 157.8
[M-H]- 154.12373 157.5
[M+NH4]+ 173.16483 161.2
[M+K]+ 194.09417 163.4
[M+H-H2O]+ 138.12827 141.5
[M+HCOO]- 200.12921 168.0
[M+CH3COO]- 214.14486 208.4
[M+Na-2H]- 176.10568 160.7
[M]+ 155.13046 179.2
[M]- 155.13156 179.2
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

No patent data available for this compound.