CID 24844842

1-hydroxymethyl-2-ethyl-1,2,3,4-tetrahydronorharmane

Structural Information

Molecular Formula
C14H18N2O
SMILES
CCN1CCC2=C(C1CO)NC3=CC=CC=C23
InChI
InChI=1S/C14H18N2O/c1-2-16-8-7-11-10-5-3-4-6-12(10)15-14(11)13(16)9-17/h3-6,13,15,17H,2,7-9H2,1H3
InChIKey
QVFPTENMBQXQMK-UHFFFAOYSA-N
Compound name
(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 152.8
[M+Na]+ 253.13112 165.9
[M+NH4]+ 248.17572 161.6
[M+K]+ 269.10506 160.3
[M-H]- 229.13462 154.3
[M+Na-2H]- 251.11657 157.1
[M]+ 230.14135 155.0
[M]- 230.14245 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.