CID 58686056

903558-18-9

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)N[C@H]1CCC2=C1C=CC(=C2)N
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-7-4-9-8-10(15)5-6-11(9)12/h5-6,8,12H,4,7,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKey
DZODLSYYJVFGGO-LBPRGKRZSA-N
Compound name
tert-butyl N-[(1S)-5-amino-2,3-dihydro-1H-inden-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

248.15248 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.3
[M+Na]+ 271.14170 164.5
[M-H]- 247.14520 162.4
[M+NH4]+ 266.18630 178.1
[M+K]+ 287.11564 162.1
[M+H-H2O]+ 231.14974 152.7
[M+HCOO]- 293.15068 179.9
[M+CH3COO]- 307.16633 198.2
[M+Na-2H]- 269.12715 161.9
[M]+ 248.15193 157.3
[M]- 248.15303 157.3
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