CID 55297784

1195684-52-6

Structural Information

Molecular Formula
C11H15NO2
SMILES
C1C(CO1)(CO)NCC2=CC=CC=C2
InChI
InChI=1S/C11H15NO2/c13-7-11(8-14-9-11)12-6-10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKey
SEDZCEIWWDXJTI-UHFFFAOYSA-N
Compound name
[3-(benzylamino)oxetan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

193.11028 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 139.5
[M+Na]+ 216.09950 144.0
[M-H]- 192.10300 145.1
[M+NH4]+ 211.14410 151.9
[M+K]+ 232.07344 146.0
[M+H-H2O]+ 176.10754 128.4
[M+HCOO]- 238.10848 160.7
[M+CH3COO]- 252.12413 184.7
[M+Na-2H]- 214.08495 148.1
[M]+ 193.10973 147.1
[M]- 193.11083 147.1
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