CID 58386631

1159010-37-3

Structural Information

Molecular Formula

C₁₁H₁₄FN

SMILES

CC1(CNCC2=C1C=C(C=C2)F)C

InChI

InChI=1S/C11H14FN/c1-11(2)7-13-6-8-3-4-9(12)5-10(8)11/h3-5,13H,6-7H2,1-2H3

InChIKey

YBDFMBSJARRSFF-UHFFFAOYSA-N

Compound name

6-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 179.11102 Da
Monoisotopic Mass: 2.3
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]+	180.118296	138.0
[M+Na]+	202.100238	146.6
[M-H]-	178.103744	138.6
[M+NH4]+	197.144843	159.5
[M+K]+	218.074178	142.5
[M+H-H2O]+	162.108280	131.3
[M+HCOO]-	224.109221	155.1
[M+CH3COO]-	238.124871	150.4
[M+Na-2H]-	200.085686	144.9
[M]+	179.11047142	133.1
[M]-	179.11156858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe