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]+ 188.143376 149.9
[M+Na]+ 210.125318 159.1
[M-H]- 186.128824 151.6
[M+NH4]+ 205.169923 167.5
[M+K]+ 226.099258 154.5
[M+H-H2O]+ 170.133360 138.5
[M+HCOO]- 232.134301 166.3
[M+CH3COO]- 246.149951 193.1
[M+Na-2H]- 208.110766 153.7
[M]+ 187.13555142 143.1
[M]- 187.13664858 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.