CID 1548141

2-propyn-1-amine, n,n-dipropyl-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C15H21N
SMILES
CCCN(CCC)CC#CC1=CC=CC=C1
InChI
InChI=1S/C15H21N/c1-3-12-16(13-4-2)14-8-11-15-9-6-5-7-10-15/h5-7,9-10H,3-4,12-14H2,1-2H3
InChIKey
JVLCIWLFCKTNNM-UHFFFAOYSA-N
Compound name
3-phenyl-N,N-dipropylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

215.1674 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.174676 153.5
[M+Na]+ 238.156618 160.8
[M-H]- 214.160124 155.9
[M+NH4]+ 233.201223 170.4
[M+K]+ 254.130558 156.5
[M+H-H2O]+ 198.164660 140.5
[M+HCOO]- 260.165601 171.8
[M+CH3COO]- 274.181251 201.6
[M+Na-2H]- 236.142066 157.1
[M]+ 215.16685142 149.6
[M]- 215.16794858 149.6
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