CID 203078

Brn 0522677

Structural Information

Molecular Formula
C12H13FN2
SMILES
CC1CNCC2=C1C3=C(N2)C=CC(=C3)F
InChI
InChI=1S/C12H13FN2/c1-7-5-14-6-11-12(7)9-4-8(13)2-3-10(9)15-11/h2-4,7,14-15H,5-6H2,1H3
InChIKey
NMVOSCLVFGFQIB-UHFFFAOYSA-N
Compound name
6-fluoro-4-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.10628 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.