CID 107239827

Tert-butyl n-{3-[(oxetan-3-yl)amino]phenyl}carbamate

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1)NC2COC2
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-11-6-4-5-10(7-11)15-12-8-18-9-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)
InChIKey
PCMNFEDHZXXBCC-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 161.6
[M+Na]+ 287.13662 164.2
[M-H]- 263.14012 168.2
[M+NH4]+ 282.18122 169.6
[M+K]+ 303.11056 167.6
[M+H-H2O]+ 247.14466 148.3
[M+HCOO]- 309.14560 181.8
[M+CH3COO]- 323.16125 203.0
[M+Na-2H]- 285.12207 166.8
[M]+ 264.14685 170.4
[M]- 264.14795 170.4
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.