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

22
Patents

146.0844 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 130.7
[M+Na]+ 169.07362 139.7
[M-H]- 145.07712 131.0
[M+NH4]+ 164.11822 148.0
[M+K]+ 185.04756 136.0
[M+H-H2O]+ 129.08166 117.8
[M+HCOO]- 191.08260 149.0
[M+CH3COO]- 205.09825 185.7
[M+Na-2H]- 167.05907 138.1
[M]+ 146.08385 124.3
[M]- 146.08495 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