CID 202969

Brn 0520098

Structural Information

Molecular Formula

C₁₂H₁₃FN₂

SMILES

CC1CC2=C(CN1)NC3=C2C=C(C=C3)F

InChI

InChI=1S/C12H13FN2/c1-7-4-9-10-5-8(13)2-3-11(10)15-12(9)6-14-7/h2-3,5,7,14-15H,4,6H2,1H3

InChIKey

ZXGOZDJIYGYOCJ-UHFFFAOYSA-N

Compound name

6-fluoro-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 204.10628 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.11356	143.1
[M+Na]+	227.09550	153.2
[M-H]-	203.09900	142.3
[M+NH4]+	222.14010	162.6
[M+K]+	243.06944	146.6
[M+H-H2O]+	187.10354	135.7
[M+HCOO]-	249.10448	159.1
[M+CH3COO]-	263.12013	154.9
[M+Na-2H]-	225.08095	148.4
[M]+	204.10573	138.5
[M]-	204.10683	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe