CID 4724207

2287330-71-4

Structural Information

Molecular Formula
C9H10N2
SMILES
C#CCNCC1=CN=CC=C1
InChI
InChI=1S/C9H10N2/c1-2-5-10-7-9-4-3-6-11-8-9/h1,3-4,6,8,10H,5,7H2
InChIKey
AFKRXFQDBKTGKZ-UHFFFAOYSA-N
Compound name
N-(pyridin-3-ylmethyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

146.0844 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.091676 130.7
[M+Na]+ 169.073618 139.7
[M-H]- 145.077124 131.0
[M+NH4]+ 164.118223 148.0
[M+K]+ 185.047558 136.0
[M+H-H2O]+ 129.081660 117.8
[M+HCOO]- 191.082601 149.0
[M+CH3COO]- 205.098251 185.7
[M+Na-2H]- 167.059066 138.1
[M]+ 146.08385142 124.3
[M]- 146.08494858 124.3
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