CID 60153396

N-(prop-2-yn-1-yl)naphthalen-1-amine

Structural Information

Molecular Formula
C13H11N
SMILES
C#CCNC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H11N/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h1,3-9,14H,10H2
InChIKey
FXKHLKIXEAWBFQ-UHFFFAOYSA-N
Compound name
N-prop-2-ynylnaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.08914 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09642 143.1
[M+Na]+ 204.07836 153.6
[M-H]- 180.08186 145.7
[M+NH4]+ 199.12296 161.6
[M+K]+ 220.05230 146.5
[M+H-H2O]+ 164.08640 131.1
[M+HCOO]- 226.08734 161.4
[M+CH3COO]- 240.10299 154.6
[M+Na-2H]- 202.06381 150.4
[M]+ 181.08859 136.8
[M]- 181.08969 136.8
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