CID 157976184

2742659-19-2

Structural Information

Molecular Formula
C7H13N
SMILES
CC(C12CC(C1)C2)N
InChI
InChI=1S/C7H13N/c1-5(8)7-2-6(3-7)4-7/h5-6H,2-4,8H2,1H3
InChIKey
BLKZYPDKJREAGT-UHFFFAOYSA-N
Compound name
1-(1-bicyclo[1.1.1]pentanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.1048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 144.5
[M+Na]+ 134.094018 147.5
[M-H]- 110.097524 147.3
[M+NH4]+ 129.138623 150.8
[M+K]+ 150.067958 153.9
[M+H-H2O]+ 94.102060 130.3
[M+HCOO]- 156.103001 157.5
[M+CH3COO]- 170.118651 203.4
[M+Na-2H]- 132.079466 149.8
[M]+ 111.10425142 166.7
[M]- 111.10534858 166.7
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.