CID 3049692

2-propyn-1-amine, n,n-bis(1-methylethyl)-3-phenyl-, hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 155.9
[M+Na]+ 238.15662 162.7
[M-H]- 214.16012 158.4
[M+NH4]+ 233.20122 172.6
[M+K]+ 254.13056 159.3
[M+H-H2O]+ 198.16466 143.1
[M+HCOO]- 260.16560 172.3
[M+CH3COO]- 274.18125 203.1
[M+Na-2H]- 236.14207 157.0
[M]+ 215.16685 150.8
[M]- 215.16795 150.8
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

No patent data available for this compound.