CID 10701974

5-methoxy-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C9H11NO
SMILES
COC1=CC2=C(C=C1)NCC2
InChI
InChI=1S/C9H11NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3
InChIKey
YYDYAQAVAHKFJO-UHFFFAOYSA-N
Compound name
5-methoxy-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

149.08406 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.7
[M+Na]+ 172.073278 138.0
[M-H]- 148.076784 131.6
[M+NH4]+ 167.117883 152.0
[M+K]+ 188.047218 135.2
[M+H-H2O]+ 132.081320 123.9
[M+HCOO]- 194.082261 151.0
[M+CH3COO]- 208.097911 172.2
[M+Na-2H]- 170.058726 136.4
[M]+ 149.08351142 128.2
[M]- 149.08460858 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe