CID 28418827

Methyl 5-amino-2,3-dihydro-1h-indole-1-carboxylate

Structural Information

Molecular Formula
C10H12N2O2
SMILES
COC(=O)N1CCC2=C1C=CC(=C2)N
InChI
InChI=1S/C10H12N2O2/c1-14-10(13)12-5-4-7-6-8(11)2-3-9(7)12/h2-3,6H,4-5,11H2,1H3
InChIKey
FIJYPILPCPEDLF-UHFFFAOYSA-N
Compound name
methyl 5-amino-2,3-dihydroindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

192.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 140.5
[M+Na]+ 215.07909 148.9
[M-H]- 191.08259 143.7
[M+NH4]+ 210.12369 161.4
[M+K]+ 231.05303 146.8
[M+H-H2O]+ 175.08713 134.3
[M+HCOO]- 237.08807 162.8
[M+CH3COO]- 251.10372 183.9
[M+Na-2H]- 213.06454 144.7
[M]+ 192.08932 139.9
[M]- 192.09042 139.9
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