CID 22401335

Tert-butyl n-[(3-aminophenyl)methyl]-n-ethylcarbamate

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCN(CC1=CC(=CC=C1)N)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H22N2O2/c1-5-16(13(17)18-14(2,3)4)10-11-7-6-8-12(15)9-11/h6-9H,5,10,15H2,1-4H3
InChIKey
VAOXZCDQZZNIJR-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-aminophenyl)methyl]-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

250.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.175396 160.9
[M+Na]+ 273.157338 166.2
[M-H]- 249.160844 165.3
[M+NH4]+ 268.201943 178.3
[M+K]+ 289.131278 165.6
[M+H-H2O]+ 233.165380 154.2
[M+HCOO]- 295.166321 183.9
[M+CH3COO]- 309.181971 202.6
[M+Na-2H]- 271.142786 164.1
[M]+ 250.16757142 162.6
[M]- 250.16866858 162.6
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