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]+ 133.07602 130.2
[M+Na]+ 155.05796 139.8
[M-H]- 131.06146 132.0
[M+NH4]+ 150.10256 148.9
[M+K]+ 171.03190 136.0
[M+H-H2O]+ 115.06600 118.5
[M+HCOO]- 177.06694 150.3
[M+CH3COO]- 191.08259 185.4
[M+Na-2H]- 153.04341 136.3
[M]+ 132.06819 121.7
[M]- 132.06929 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