CID 131697835

2387602-64-2

Structural Information

Molecular Formula
C7H13N
SMILES
C1C2CC1(C2)CCN
InChI
InChI=1S/C7H13N/c8-2-1-7-3-6(4-7)5-7/h6H,1-5,8H2
InChIKey
NPDNNRZPIXXZFH-UHFFFAOYSA-N
Compound name
2-(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

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 139.7
[M+Na]+ 134.09402 143.2
[M-H]- 110.09752 142.6
[M+NH4]+ 129.13862 146.3
[M+K]+ 150.06796 149.2
[M+H-H2O]+ 94.102060 125.8
[M+HCOO]- 156.10300 153.8
[M+CH3COO]- 170.11865 202.8
[M+Na-2H]- 132.07947 146.5
[M]+ 111.10425 162.6
[M]- 111.10535 162.6
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.