CID 163797

109210-52-8

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC(=O)N1CCC2C1(NC3=C2C=C(C=C3)OC)O
InChI
InChI=1S/C13H16N2O3/c1-8(16)15-6-5-11-10-7-9(18-2)3-4-12(10)14-13(11,15)17/h3-4,7,11,14,17H,5-6H2,1-2H3
InChIKey
AQOSPGCCTHGZFL-UHFFFAOYSA-N
Compound name
1-(3a-hydroxy-7-methoxy-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

959
Patents

248.11609 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.9
[M+Na]+ 271.10531 165.9
[M-H]- 247.10881 157.7
[M+NH4]+ 266.14991 178.1
[M+K]+ 287.07925 162.0
[M+H-H2O]+ 231.11335 151.5
[M+HCOO]- 293.11429 172.7
[M+CH3COO]- 307.12994 168.4
[M+Na-2H]- 269.09076 158.9
[M]+ 248.11554 156.4
[M]- 248.11664 156.4
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