CID 12586313

1-phenylbut-3-yn-2-amine hydrochloride

Structural Information

Molecular Formula
C10H11N
SMILES
C#CC(CC1=CC=CC=C1)N
InChI
InChI=1S/C10H11N/c1-2-10(11)8-9-6-4-3-5-7-9/h1,3-7,10H,8,11H2
InChIKey
NWWUPXXMVARFJI-UHFFFAOYSA-N
Compound name
1-phenylbut-3-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

145.08914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 135.3
[M+Na]+ 168.07836 144.0
[M-H]- 144.08186 136.7
[M+NH4]+ 163.12296 153.6
[M+K]+ 184.05230 139.8
[M+H-H2O]+ 128.08640 123.5
[M+HCOO]- 190.08734 153.1
[M+CH3COO]- 204.10299 186.2
[M+Na-2H]- 166.06381 139.8
[M]+ 145.08859 127.3
[M]- 145.08969 127.3
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

patents stripe