CID 129920467

3-(1-aminocyclobutyl)aniline dihydrochloride

Structural Information

Molecular Formula
C10H14N2
SMILES
C1CC(C1)(C2=CC(=CC=C2)N)N
InChI
InChI=1S/C10H14N2/c11-9-4-1-3-8(7-9)10(12)5-2-6-10/h1,3-4,7H,2,5-6,11-12H2
InChIKey
JFCYDKQLVZFKRW-UHFFFAOYSA-N
Compound name
3-(1-aminocyclobutyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

162.11569 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.122966 136.7
[M+Na]+ 185.104908 142.2
[M-H]- 161.108414 142.5
[M+NH4]+ 180.149513 151.7
[M+K]+ 201.078848 142.5
[M+H-H2O]+ 145.112950 125.5
[M+HCOO]- 207.113891 159.7
[M+CH3COO]- 221.129541 184.9
[M+Na-2H]- 183.090356 142.5
[M]+ 162.11514142 140.0
[M]- 162.11623858 140.0
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

patents stripe