CID 60703879

4-(aminomethyl)-2-nitrophenol; sulfuric acid

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1=CC(=C(C=C1CN)[N+](=O)[O-])O
InChI
InChI=1S/C7H8N2O3/c8-4-5-1-2-7(10)6(3-5)9(11)12/h1-3,10H,4,8H2
InChIKey
KIJGPVLYVMYULD-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0535 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 130.1
[M+Na]+ 191.04272 137.7
[M-H]- 167.04622 132.7
[M+NH4]+ 186.08732 148.9
[M+K]+ 207.01666 131.7
[M+H-H2O]+ 151.05076 129.2
[M+HCOO]- 213.05170 155.7
[M+CH3COO]- 227.06735 172.1
[M+Na-2H]- 189.02817 137.7
[M]+ 168.05295 126.8
[M]- 168.05405 126.8
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

No patent data available for this compound.