CID 22981094

Tert-butyl n-[1-(3-aminophenyl)cyclopropyl]carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

248.15248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 154.5
[M+Na]+ 271.14170 162.3
[M-H]- 247.14520 161.8
[M+NH4]+ 266.18630 168.5
[M+K]+ 287.11564 159.9
[M+H-H2O]+ 231.14974 149.2
[M+HCOO]- 293.15068 177.2
[M+CH3COO]- 307.16633 199.8
[M+Na-2H]- 269.12715 160.6
[M]+ 248.15193 156.9
[M]- 248.15303 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