CID 86812318

3-[(benzylamino)methyl]-2-methyloxolan-3-ol

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1C(CCO1)(CNCC2=CC=CC=C2)O
InChI
InChI=1S/C13H19NO2/c1-11-13(15,7-8-16-11)10-14-9-12-5-3-2-4-6-12/h2-6,11,14-15H,7-10H2,1H3
InChIKey
OJZFCODDXKJJIK-UHFFFAOYSA-N
Compound name
3-[(benzylamino)methyl]-2-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 150.0
[M+Na]+ 244.13081 155.5
[M-H]- 220.13431 155.7
[M+NH4]+ 239.17541 169.6
[M+K]+ 260.10475 153.6
[M+H-H2O]+ 204.13885 144.0
[M+HCOO]- 266.13979 171.7
[M+CH3COO]- 280.15544 186.6
[M+Na-2H]- 242.11626 155.5
[M]+ 221.14104 148.3
[M]- 221.14214 148.3
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.