CID 22981094

180080-94-8

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 159.8
[M+Na]+ 271.14170 170.8
[M+NH4]+ 266.18630 168.8
[M+K]+ 287.11564 165.6
[M-H]- 247.14520 169.7
[M+Na-2H]- 269.12715 169.7
[M]+ 248.15193 165.3
[M]- 248.15303 165.3
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