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

4
Patents

192.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 140.5
[M+Na]+ 215.079088 148.9
[M-H]- 191.082594 143.7
[M+NH4]+ 210.123693 161.4
[M+K]+ 231.053028 146.8
[M+H-H2O]+ 175.087130 134.3
[M+HCOO]- 237.088071 162.8
[M+CH3COO]- 251.103721 183.9
[M+Na-2H]- 213.064536 144.7
[M]+ 192.08932142 139.9
[M]- 192.09041858 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