CID 80488028

2-(benzylamino)-2-cyclobutylethan-1-ol

Structural Information

Molecular Formula
C13H19NO
SMILES
C1CC(C1)C(CO)NCC2=CC=CC=C2
InChI
InChI=1S/C13H19NO/c15-10-13(12-7-4-8-12)14-9-11-5-2-1-3-6-11/h1-3,5-6,12-15H,4,7-10H2
InChIKey
SFCGXTFRTIOPQW-UHFFFAOYSA-N
Compound name
2-(benzylamino)-2-cyclobutylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.9
[M+Na]+ 228.13589 154.9
[M+NH4]+ 223.18049 153.4
[M+K]+ 244.10983 150.2
[M-H]- 204.13939 149.8
[M+Na-2H]- 226.12134 153.3
[M]+ 205.14612 148.6
[M]- 205.14722 148.6
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.