CID 10083475

2241140-31-6

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CC(C)(C)OC(=O)N(C)CCC1=CC=C(C=C1)N
InChI
InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16(4)10-9-11-5-7-12(15)8-6-11/h5-8H,9-10,15H2,1-4H3
InChIKey
RFLBWARNKVMNSZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

250.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 160.9
[M+Na]+ 273.15734 166.2
[M-H]- 249.16084 165.3
[M+NH4]+ 268.20194 178.3
[M+K]+ 289.13128 165.6
[M+H-H2O]+ 233.16538 154.2
[M+HCOO]- 295.16632 183.9
[M+CH3COO]- 309.18197 202.6
[M+Na-2H]- 271.14279 164.1
[M]+ 250.16757 162.6
[M]- 250.16867 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