CID 4717506

889949-70-6

Structural Information

Molecular Formula
C12H15N
SMILES
CCCNCC#CC1=CC=CC=C1
InChI
InChI=1S/C12H15N/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,10-11H2,1H3
InChIKey
YWJIRTMAFSRUID-UHFFFAOYSA-N
Compound name
3-phenyl-N-propylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 142.6
[M+Na]+ 196.10967 154.6
[M+NH4]+ 191.15427 148.0
[M+K]+ 212.08361 143.6
[M-H]- 172.11317 137.8
[M+Na-2H]- 194.09512 147.0
[M]+ 173.11990 142.2
[M]- 173.12100 142.2
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.