CID 21936857

129488-00-2

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)N
InChI
InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-5,8H,6-7,14H2,1-3H3
InChIKey
NWVDKZOUGBMLIH-UHFFFAOYSA-N
Compound name
tert-butyl 6-amino-2,3-dihydroindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

308
Patents

234.13683 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 155.3
[M+Na]+ 257.12605 162.8
[M-H]- 233.12955 158.2
[M+NH4]+ 252.17065 174.7
[M+K]+ 273.09999 160.5
[M+H-H2O]+ 217.13409 149.3
[M+HCOO]- 279.13503 174.9
[M+CH3COO]- 293.15068 192.7
[M+Na-2H]- 255.11150 158.8
[M]+ 234.13628 155.1
[M]- 234.13738 155.1
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