CID 18632201

116586-57-3

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(C)(C)OC(=O)[C@@H]1CC2=CC=CC=C2N1
InChI
InChI=1S/C13H17NO2/c1-13(2,3)16-12(15)11-8-9-6-4-5-7-10(9)14-11/h4-7,11,14H,8H2,1-3H3/t11-/m0/s1
InChIKey
BWLRZKYMVHFPLH-NSHDSACASA-N
Compound name
tert-butyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

219.12593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.8
[M+Na]+ 242.11515 158.8
[M-H]- 218.11865 153.5
[M+NH4]+ 237.15975 171.3
[M+K]+ 258.08909 155.9
[M+H-H2O]+ 202.12319 146.1
[M+HCOO]- 264.12413 169.5
[M+CH3COO]- 278.13978 185.3
[M+Na-2H]- 240.10060 156.0
[M]+ 219.12538 151.2
[M]- 219.12648 151.2
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