CID 63657870

1-phenylpent-4-yn-1-amine

Structural Information

Molecular Formula
C11H13N
SMILES
C#CCCC(C1=CC=CC=C1)N
InChI
InChI=1S/C11H13N/c1-2-3-9-11(12)10-7-5-4-6-8-10/h1,4-8,11H,3,9,12H2
InChIKey
IOQFVCAXMPFUAV-UHFFFAOYSA-N
Compound name
1-phenylpent-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

159.1048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.112076 139.2
[M+Na]+ 182.094018 147.6
[M-H]- 158.097524 140.5
[M+NH4]+ 177.138623 157.1
[M+K]+ 198.067958 143.2
[M+H-H2O]+ 142.102060 127.3
[M+HCOO]- 204.103001 156.8
[M+CH3COO]- 218.118651 188.9
[M+Na-2H]- 180.079466 143.3
[M]+ 159.10425142 131.6
[M]- 159.10534858 131.6
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