CID 86673140

1228092-22-5

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C2=CC=C(C=C2)N
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8,15H2,1-3H3,(H,16,17)/t11-,12+/m0/s1
InChIKey
SUYAPBUIUDTGLR-NWDGAFQWSA-N
Compound name
tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
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 153.8
[M+Na]+ 271.141698 161.7
[M-H]- 247.145204 161.2
[M+NH4]+ 266.186303 166.2
[M+K]+ 287.115638 158.3
[M+H-H2O]+ 231.149740 147.5
[M+HCOO]- 293.150681 176.9
[M+CH3COO]- 307.166331 201.4
[M+Na-2H]- 269.127146 158.1
[M]+ 248.15193142 156.1
[M]- 248.15302858 156.1
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