CID 305815

14465-74-8

Structural Information

Molecular Formula
C9H9N
SMILES
C#CCNC1=CC=CC=C1
InChI
InChI=1S/C9H9N/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7,10H,8H2
InChIKey
IZKIWEYIOKPHLF-UHFFFAOYSA-N
Compound name
N-prop-2-ynylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

267
Patents

131.0735 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08078 128.8
[M+Na]+ 154.06272 138.2
[M-H]- 130.06622 130.8
[M+NH4]+ 149.10732 148.0
[M+K]+ 170.03666 134.2
[M+H-H2O]+ 114.07076 117.2
[M+HCOO]- 176.07170 148.4
[M+CH3COO]- 190.08735 183.4
[M+Na-2H]- 152.04817 136.1
[M]+ 131.07295 122.1
[M]- 131.07405 122.1
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