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

46
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 153.8
[M+Na]+ 271.14170 161.7
[M-H]- 247.14520 161.2
[M+NH4]+ 266.18630 166.2
[M+K]+ 287.11564 158.3
[M+H-H2O]+ 231.14974 147.5
[M+HCOO]- 293.15068 176.9
[M+CH3COO]- 307.16633 201.4
[M+Na-2H]- 269.12715 158.1
[M]+ 248.15193 156.1
[M]- 248.15303 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