CID 22666910

117889-14-2

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1OC2=C(O1)C=C(C=C2)NC=O
InChI
InChI=1S/C8H7NO3/c10-4-9-6-1-2-7-8(3-6)12-5-11-7/h1-4H,5H2,(H,9,10)
InChIKey
SHZVFELFDIDUHB-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

165.04259 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 128.7
[M+Na]+ 188.03181 137.4
[M-H]- 164.03531 134.9
[M+NH4]+ 183.07641 149.3
[M+K]+ 204.00575 137.9
[M+H-H2O]+ 148.03985 123.6
[M+HCOO]- 210.04079 152.9
[M+CH3COO]- 224.05644 177.4
[M+Na-2H]- 186.01726 138.8
[M]+ 165.04204 131.0
[M]- 165.04314 131.0
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