CID 61810

Fenproporex

Structural Information

Molecular Formula
C12H16N2
SMILES
CC(CC1=CC=CC=C1)NCCC#N
InChI
InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3
InChIKey
IQUFSXIQAFPIMR-UHFFFAOYSA-N
Compound name
3-(1-phenylpropan-2-ylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

54
References

4825
Patents

188.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 145.6
[M+Na]+ 211.120568 153.0
[M-H]- 187.124074 148.2
[M+NH4]+ 206.165173 162.9
[M+K]+ 227.094508 149.6
[M+H-H2O]+ 171.128610 132.7
[M+HCOO]- 233.129551 165.5
[M+CH3COO]- 247.145201 199.0
[M+Na-2H]- 209.106016 150.7
[M]+ 188.13080142 140.1
[M]- 188.13189858 140.1
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