CID 90019774

1383809-95-7

Structural Information

Molecular Formula
C12H16FN
SMILES
CC1CC(C2=C(C=CC(=C12)N)F)(C)C
InChI
InChI=1S/C12H16FN/c1-7-6-12(2,3)11-8(13)4-5-9(14)10(7)11/h4-5,7H,6,14H2,1-3H3
InChIKey
USXBDIZEJAVICB-UHFFFAOYSA-N
Compound name
7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

193.12668 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.133956 140.3
[M+Na]+ 216.115898 150.9
[M-H]- 192.119404 144.1
[M+NH4]+ 211.160503 165.3
[M+K]+ 232.089838 146.9
[M+H-H2O]+ 176.123940 135.2
[M+HCOO]- 238.124881 162.5
[M+CH3COO]- 252.140531 189.1
[M+Na-2H]- 214.101346 143.9
[M]+ 193.12613142 138.4
[M]- 193.12722858 138.4
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

patents stripe