CID 132353909

2138069-63-1

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(C)(C)OC(=O)NC1(CCOCC1)C2=CC(=CC=C2)N
InChI
InChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-16(7-9-20-10-8-16)12-5-4-6-13(17)11-12/h4-6,11H,7-10,17H2,1-3H3,(H,18,19)
InChIKey
OAFKYGHXDDASPU-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(3-aminophenyl)oxan-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 170.2
[M+Na]+ 315.16790 173.6
[M-H]- 291.17140 176.2
[M+NH4]+ 310.21250 185.1
[M+K]+ 331.14184 173.0
[M+H-H2O]+ 275.17594 163.2
[M+HCOO]- 337.17688 188.4
[M+CH3COO]- 351.19253 203.9
[M+Na-2H]- 313.15335 175.1
[M]+ 292.17813 167.0
[M]- 292.17923 167.0
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.