CID 99277

N-benzylprop-2-yn-1-amine

Structural Information

Molecular Formula
C10H11N
SMILES
C#CCNCC1=CC=CC=C1
InChI
InChI=1S/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2
InChIKey
LDYBFSGEBHSTOQ-UHFFFAOYSA-N
Compound name
N-benzylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

146
Patents

145.08914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 134.2
[M+Na]+ 168.07836 146.5
[M+NH4]+ 163.12296 139.9
[M+K]+ 184.05230 135.9
[M-H]- 144.08186 129.4
[M+Na-2H]- 166.06381 139.1
[M]+ 145.08859 133.8
[M]- 145.08969 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe