CID 122235347

4-(bicyclo[1.1.1]pentan-1-yl)aniline

Structural Information

Molecular Formula
C11H13N
SMILES
C1C2CC1(C2)C3=CC=C(C=C3)N
InChI
InChI=1S/C11H13N/c12-10-3-1-9(2-4-10)11-5-8(6-11)7-11/h1-4,8H,5-7,12H2
InChIKey
MAJBIFTUQBMQKG-UHFFFAOYSA-N
Compound name
4-(1-bicyclo[1.1.1]pentanyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.1048 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 142.3
[M+Na]+ 182.09402 141.3
[M+NH4]+ 177.13862 142.6
[M+K]+ 198.06796 139.0
[M-H]- 158.09752 138.2
[M+Na-2H]- 180.07947 141.0
[M]+ 159.10425 138.4
[M]- 159.10535 138.4
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.