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]+ 293.18596 171.1
[M+Na]+ 315.16790 174.0
[M-H]- 291.17140 177.3
[M+NH4]+ 310.21250 185.9
[M+K]+ 331.14184 173.5
[M+H-H2O]+ 275.17594 164.1
[M+HCOO]- 337.17688 190.5
[M+CH3COO]- 351.19253 204.7
[M+Na-2H]- 313.15335 172.4
[M]+ 292.17813 169.0
[M]- 292.17923 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.