CID 57612342

1105634-93-2

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)NC1(CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H20N2O2/c1-13(2,3)18-12(17)16-14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9,15H2,1-3H3,(H,16,17)
InChIKey
XICSQPBWHNUHDY-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-aminophenyl)cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

248.15248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 154.5
[M+Na]+ 271.141698 162.3
[M-H]- 247.145204 161.8
[M+NH4]+ 266.186303 168.5
[M+K]+ 287.115638 159.9
[M+H-H2O]+ 231.149740 149.2
[M+HCOO]- 293.150681 177.2
[M+CH3COO]- 307.166331 199.8
[M+Na-2H]- 269.127146 160.6
[M]+ 248.15193142 156.9
[M]- 248.15302858 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