CID 55296575

(3-ethynylphenyl)hydrazine hydrochloride

Structural Information

Molecular Formula
C8H8N2
SMILES
C#CC1=CC(=CC=C1)NN
InChI
InChI=1S/C8H8N2/c1-2-7-4-3-5-8(6-7)10-9/h1,3-6,10H,9H2
InChIKey
KTIVGMFMMSMHHF-UHFFFAOYSA-N
Compound name
(3-ethynylphenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

132.06874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.076016 130.2
[M+Na]+ 155.057958 139.8
[M-H]- 131.061464 132.0
[M+NH4]+ 150.102563 148.9
[M+K]+ 171.031898 136.0
[M+H-H2O]+ 115.066000 118.5
[M+HCOO]- 177.066941 150.3
[M+CH3COO]- 191.082591 185.4
[M+Na-2H]- 153.043406 136.3
[M]+ 132.06819142 121.7
[M]- 132.06928858 121.7
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