CID 137963951

2225154-18-5

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)C(CC2)N
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-10-4-6-12-11(8-10)5-7-13(12)16/h4,6,8,13H,5,7,9,16H2,1-3H3,(H,17,18)
InChIKey
BQIAHSJLYMRGNM-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.0
[M+Na]+ 285.15734 168.7
[M-H]- 261.16084 166.8
[M+NH4]+ 280.20194 182.1
[M+K]+ 301.13128 166.1
[M+H-H2O]+ 245.16538 157.2
[M+HCOO]- 307.16632 184.2
[M+CH3COO]- 321.18197 201.2
[M+Na-2H]- 283.14279 166.0
[M]+ 262.16757 162.3
[M]- 262.16867 162.3
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

No patent data available for this compound.