CID 61560953

2-{2-azabicyclo[2.2.1]heptan-2-yl}aniline

Structural Information

Molecular Formula
C12H16N2
SMILES
C1CC2CC1CN2C3=CC=CC=C3N
InChI
InChI=1S/C12H16N2/c13-11-3-1-2-4-12(11)14-8-9-5-6-10(14)7-9/h1-4,9-10H,5-8,13H2
InChIKey
XICKTEWTIROYKS-UHFFFAOYSA-N
Compound name
2-(2-azabicyclo[2.2.1]heptan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

188.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 141.5
[M+Na]+ 211.12057 148.6
[M-H]- 187.12407 145.9
[M+NH4]+ 206.16517 164.6
[M+K]+ 227.09451 144.9
[M+H-H2O]+ 171.12861 135.1
[M+HCOO]- 233.12955 162.7
[M+CH3COO]- 247.14520 154.3
[M+Na-2H]- 209.10602 144.4
[M]+ 188.13080 137.7
[M]- 188.13190 137.7
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

patents stripe