CID 4717506

(3-phenyl-2-propyn-1-yl)propylamine

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 141.4
[M+Na]+ 196.10967 149.8
[M-H]- 172.11317 143.0
[M+NH4]+ 191.15427 159.2
[M+K]+ 212.08361 145.0
[M+H-H2O]+ 156.11771 129.3
[M+HCOO]- 218.11865 160.2
[M+CH3COO]- 232.13430 190.3
[M+Na-2H]- 194.09512 147.2
[M]+ 173.11990 135.5
[M]- 173.12100 135.5
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.