CID 81777349

2-aminopent-4-ynehydrazide dihydrochloride

Structural Information

Molecular Formula
C5H9N3O
SMILES
C#CCC(C(=O)NN)N
InChI
InChI=1S/C5H9N3O/c1-2-3-4(6)5(9)8-7/h1,4H,3,6-7H2,(H,8,9)
InChIKey
IJWXNSZWZJXNTI-UHFFFAOYSA-N
Compound name
2-aminopent-4-ynehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.07456 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 130.9
[M+Na]+ 150.06378 137.8
[M-H]- 126.06728 129.5
[M+NH4]+ 145.10838 148.9
[M+K]+ 166.03772 137.3
[M+H-H2O]+ 110.07182 119.3
[M+HCOO]- 172.07276 149.2
[M+CH3COO]- 186.08841 186.6
[M+Na-2H]- 148.04923 133.2
[M]+ 127.07401 120.9
[M]- 127.07511 120.9
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

No patent data available for this compound.