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

18
Patents

146.04802 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 130.9
[M+Na]+ 169.03724 141.8
[M-H]- 145.04074 134.3
[M+NH4]+ 164.08184 149.9
[M+K]+ 185.01118 138.9
[M+H-H2O]+ 129.04528 119.0
[M+HCOO]- 191.04622 152.7
[M+CH3COO]- 205.06187 189.8
[M+Na-2H]- 167.02269 136.8
[M]+ 146.04747 125.1
[M]- 146.04857 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