CID 66521271

3-cyclobutylaniline

Structural Information

Molecular Formula
C10H13N
SMILES
C1CC(C1)C2=CC(=CC=C2)N
InChI
InChI=1S/C10H13N/c11-10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8H,1,3-4,11H2
InChIKey
CJJBVKSLLOQPKD-UHFFFAOYSA-N
Compound name
3-cyclobutylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

147.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 128.3
[M+Na]+ 170.09402 134.0
[M-H]- 146.09752 134.4
[M+NH4]+ 165.13862 142.7
[M+K]+ 186.06796 134.6
[M+H-H2O]+ 130.10206 117.0
[M+HCOO]- 192.10300 151.2
[M+CH3COO]- 206.11865 181.2
[M+Na-2H]- 168.07947 134.4
[M]+ 147.10425 133.1
[M]- 147.10535 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