CID 596004

Methyl 4-(hydrazinecarbonyl)benzoate hydrochloride

Structural Information

Molecular Formula
C9H10N2O3
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)NN
InChI
InChI=1S/C9H10N2O3/c1-14-9(13)7-4-2-6(3-5-7)8(12)11-10/h2-5H,10H2,1H3,(H,11,12)
InChIKey
HGVBEQHEDXPHBI-UHFFFAOYSA-N
Compound name
methyl 4-(hydrazinecarbonyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

121
Patents

194.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 140.1
[M+Na]+ 217.05836 146.7
[M-H]- 193.06186 143.6
[M+NH4]+ 212.10296 158.6
[M+K]+ 233.03230 145.8
[M+H-H2O]+ 177.06640 133.6
[M+HCOO]- 239.06734 165.2
[M+CH3COO]- 253.08299 186.6
[M+Na-2H]- 215.04381 144.6
[M]+ 194.06859 139.3
[M]- 194.06969 139.3
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