CID 154190

Mm-cook

Structural Information

Molecular Formula
C8H9N3O2
SMILES
CN=NNC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C8H9N3O2/c1-9-11-10-7-4-2-6(3-5-7)8(12)13/h2-5H,1H3,(H,9,10)(H,12,13)
InChIKey
BOCQEKBKBUOBCR-UHFFFAOYSA-N
Compound name
4-(2-methyliminohydrazinyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

463
Patents

179.06947 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 134.6
[M+Na]+ 202.05869 141.5
[M-H]- 178.06219 140.1
[M+NH4]+ 197.10329 154.3
[M+K]+ 218.03263 140.9
[M+H-H2O]+ 162.06673 127.6
[M+HCOO]- 224.06767 163.9
[M+CH3COO]- 238.08332 189.4
[M+Na-2H]- 200.04414 142.8
[M]+ 179.06892 134.9
[M]- 179.07002 134.9
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