CID 55281491

4-cyclobutylaniline

Structural Information

Molecular Formula
C10H13N
SMILES
C1CC(C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H13N/c11-10-6-4-9(5-7-10)8-2-1-3-8/h4-8H,1-3,11H2
InChIKey
STQVTMCLQCBATO-UHFFFAOYSA-N
Compound name
4-cyclobutylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

147.1048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.112076 128.3
[M+Na]+ 170.094018 134.0
[M-H]- 146.097524 134.4
[M+NH4]+ 165.138623 142.7
[M+K]+ 186.067958 134.6
[M+H-H2O]+ 130.102060 117.0
[M+HCOO]- 192.103001 151.2
[M+CH3COO]- 206.118651 181.2
[M+Na-2H]- 168.079466 134.4
[M]+ 147.10425142 133.1
[M]- 147.10534858 133.1
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