CID 10943213

89169-57-3

Structural Information

Molecular Formula
C12H13NO
SMILES
COC1=CC2=C(C=C1)NC3=C2CCC3
InChI
InChI=1S/C12H13NO/c1-14-8-5-6-12-10(7-8)9-3-2-4-11(9)13-12/h5-7,13H,2-4H2,1H3
InChIKey
HONJGUSMTAVGKM-UHFFFAOYSA-N
Compound name
7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

187.09972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 139.3
[M+Na]+ 210.08894 149.6
[M-H]- 186.09244 143.0
[M+NH4]+ 205.13354 163.2
[M+K]+ 226.06288 145.4
[M+H-H2O]+ 170.09698 134.0
[M+HCOO]- 232.09792 161.7
[M+CH3COO]- 246.11357 153.4
[M+Na-2H]- 208.07439 144.8
[M]+ 187.09917 140.4
[M]- 187.10027 140.4
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