CID 18688020

121494-52-8

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C)(C)OC(=O)NCCNC1=CC=CC=C1
InChI
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-10-9-14-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3,(H,15,16)
InChIKey
XBWZGBZWELKIHV-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-anilinoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

236.15248 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.3
[M+Na]+ 259.141698 160.9
[M-H]- 235.145204 159.5
[M+NH4]+ 254.186303 173.5
[M+K]+ 275.115638 159.3
[M+H-H2O]+ 219.149740 149.5
[M+HCOO]- 281.150681 179.7
[M+CH3COO]- 295.166331 195.6
[M+Na-2H]- 257.127146 162.4
[M]+ 236.15193142 156.9
[M]- 236.15302858 156.9
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