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

0
Patents

159.1048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 139.2
[M+Na]+ 182.09402 147.6
[M-H]- 158.09752 140.5
[M+NH4]+ 177.13862 157.1
[M+K]+ 198.06796 143.2
[M+H-H2O]+ 142.10206 127.3
[M+HCOO]- 204.10300 156.8
[M+CH3COO]- 218.11865 188.9
[M+Na-2H]- 180.07947 143.3
[M]+ 159.10425 131.6
[M]- 159.10535 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

No patent data available for this compound.