CID 119198

Eseroline

Structural Information

Molecular Formula
C13H18N2O
SMILES
C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)O)C)C
InChI
InChI=1S/C13H18N2O/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12-,13+/m1/s1
InChIKey
HKGWQUVGHPDEBZ-OLZOCXBDSA-N
Compound name
(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

604
Patents

218.1419 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.0
[M+Na]+ 241.13112 161.4
[M+NH4]+ 236.17572 160.4
[M+K]+ 257.10506 156.9
[M-H]- 217.13462 151.0
[M+Na-2H]- 239.11657 153.7
[M]+ 218.14135 151.9
[M]- 218.14245 151.9
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