CID 1931040

1158633-14-7

Structural Information

Molecular Formula
C8H9NO
SMILES
C#CCNCC1=CC=CO1
InChI
InChI=1S/C8H9NO/c1-2-5-9-7-8-4-3-6-10-8/h1,3-4,6,9H,5,7H2
InChIKey
CLZVALUILSOXNQ-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

135.06842 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 127.1
[M+Na]+ 158.05764 136.9
[M-H]- 134.06114 129.5
[M+NH4]+ 153.10224 146.5
[M+K]+ 174.03158 134.6
[M+H-H2O]+ 118.06568 115.2
[M+HCOO]- 180.06662 147.0
[M+CH3COO]- 194.08227 182.4
[M+Na-2H]- 156.04309 133.8
[M]+ 135.06787 122.5
[M]- 135.06897 122.5
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