CID 87135

3-amino-4-methoxybenzamide

Structural Information

Molecular Formula
C8H10N2O2
SMILES
COC1=C(C=C(C=C1)C(=O)N)N
InChI
InChI=1S/C8H10N2O2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)
InChIKey
INCJNDAQNPWMPZ-UHFFFAOYSA-N
Compound name
3-amino-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

493
Patents

166.07423 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.3
[M+Na]+ 189.06345 141.2
[M-H]- 165.06695 136.7
[M+NH4]+ 184.10805 153.0
[M+K]+ 205.03739 139.7
[M+H-H2O]+ 149.07149 127.3
[M+HCOO]- 211.07243 158.6
[M+CH3COO]- 225.08808 183.3
[M+Na-2H]- 187.04890 137.7
[M]+ 166.07368 131.6
[M]- 166.07478 131.6
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