CID 15067194

2-amino-5-formylbenzonitrile

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC(=C(C=C1C=O)C#N)N
InChI
InChI=1S/C8H6N2O/c9-4-7-3-6(5-11)1-2-8(7)10/h1-3,5H,10H2
InChIKey
XAAOIISWHPZUEL-UHFFFAOYSA-N
Compound name
2-amino-5-formylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

146.04802 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.055296 130.9
[M+Na]+ 169.037238 141.8
[M-H]- 145.040744 134.3
[M+NH4]+ 164.081843 149.9
[M+K]+ 185.011178 138.9
[M+H-H2O]+ 129.045280 119.0
[M+HCOO]- 191.046221 152.7
[M+CH3COO]- 205.061871 189.8
[M+Na-2H]- 167.022686 136.8
[M]+ 146.04747142 125.1
[M]- 146.04856858 125.1
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

patents stripe