CID 165997433

3-(3-tert-butylphenyl)prop-2-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C13H17N
SMILES
CC(C)(C)C1=CC=CC(=C1)C#CCN
InChI
InChI=1S/C13H17N/c1-13(2,3)12-8-4-6-11(10-12)7-5-9-14/h4,6,8,10H,9,14H2,1-3H3
InChIKey
CHEYOHAPFYXFMS-UHFFFAOYSA-N
Compound name
3-(3-tert-butylphenyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 149.9
[M+Na]+ 210.12532 159.1
[M-H]- 186.12882 151.6
[M+NH4]+ 205.16992 167.5
[M+K]+ 226.09926 154.5
[M+H-H2O]+ 170.13336 138.5
[M+HCOO]- 232.13430 166.3
[M+CH3COO]- 246.14995 193.1
[M+Na-2H]- 208.11077 153.7
[M]+ 187.13555 143.1
[M]- 187.13665 143.1
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.