CID 138014700

2243503-09-3

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(C2=CC=CC=C2)N
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-13-10-20-9-12(13)14(17)11-7-5-4-6-8-11/h4-8,12-14H,9-10,17H2,1-3H3,(H,18,19)/t12-,13-,14?/m1/s1
InChIKey
IJEYDDCFCUKASH-ZFXTZCCVSA-N
Compound name
tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 171.1
[M+Na]+ 315.167898 174.0
[M-H]- 291.171404 177.3
[M+NH4]+ 310.212503 185.9
[M+K]+ 331.141838 173.5
[M+H-H2O]+ 275.175940 164.1
[M+HCOO]- 337.176881 190.5
[M+CH3COO]- 351.192531 204.7
[M+Na-2H]- 313.153346 172.4
[M]+ 292.17813142 169.0
[M]- 292.17922858 169.0
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.