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]+ 206.153946 147.0
[M+Na]+ 228.135888 149.4
[M-H]- 204.139394 151.2
[M+NH4]+ 223.180493 158.0
[M+K]+ 244.109828 149.8
[M+H-H2O]+ 188.143930 134.6
[M+HCOO]- 250.144871 167.1
[M+CH3COO]- 264.160521 189.8
[M+Na-2H]- 226.121336 151.2
[M]+ 205.14612142 152.2
[M]- 205.14721858 152.2
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.