CID 71221

Amiflamine

Structural Information

Molecular Formula
C12H20N2
SMILES
CC1=C(C=CC(=C1)N(C)C)C[C@H](C)N
InChI
InChI=1S/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3/t10-/m0/s1
InChIKey
HFQMYSHATTXRTC-JTQLQIEISA-N
Compound name
4-[(2S)-2-aminopropyl]-N,N,3-trimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

1436
Patents

192.16264 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 146.5
[M+Na]+ 215.15186 152.7
[M-H]- 191.15536 151.2
[M+NH4]+ 210.19646 166.4
[M+K]+ 231.12580 151.6
[M+H-H2O]+ 175.15990 140.0
[M+HCOO]- 237.16084 171.0
[M+CH3COO]- 251.17649 196.2
[M+Na-2H]- 213.13731 149.1
[M]+ 192.16209 146.4
[M]- 192.16319 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe