CID 122235347

1823343-61-8

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 146.3
[M+Na]+ 182.09402 150.8
[M-H]- 158.09752 151.5
[M+NH4]+ 177.13862 151.5
[M+K]+ 198.06796 155.7
[M+H-H2O]+ 142.10206 130.9
[M+HCOO]- 204.10300 160.8
[M+CH3COO]- 218.11865 209.0
[M+Na-2H]- 180.07947 153.1
[M]+ 159.10425 169.0
[M]- 159.10535 169.0
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

No patent data available for this compound.