CID 270305

1h,2h,3h,4h-cyclopenta[b]indole

Structural Information

Molecular Formula
C11H11N
SMILES
C1CC2=C(C1)NC3=CC=CC=C23
InChI
InChI=1S/C11H11N/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10/h1-2,4,6,12H,3,5,7H2
InChIKey
HZDXFZHFEASSBM-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydrocyclopenta[b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

293
Patents

157.08914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 131.3
[M+Na]+ 180.07836 141.3
[M-H]- 156.08186 134.8
[M+NH4]+ 175.12296 156.2
[M+K]+ 196.05230 136.8
[M+H-H2O]+ 140.08640 126.0
[M+HCOO]- 202.08734 153.9
[M+CH3COO]- 216.10299 145.7
[M+Na-2H]- 178.06381 138.0
[M]+ 157.08859 130.3
[M]- 157.08969 130.3
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