CID 15105290

137469-75-1

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CNCC1=C(C=CC(=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C9H12N2O3/c1-10-6-7-5-8(11(12)13)3-4-9(7)14-2/h3-5,10H,6H2,1-2H3
InChIKey
VAJJOOCTYZKXHF-UHFFFAOYSA-N
Compound name
1-(2-methoxy-5-nitrophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 139.5
[M+Na]+ 219.07402 146.6
[M-H]- 195.07752 143.5
[M+NH4]+ 214.11862 158.1
[M+K]+ 235.04796 141.4
[M+H-H2O]+ 179.08206 137.9
[M+HCOO]- 241.08300 166.4
[M+CH3COO]- 255.09865 181.7
[M+Na-2H]- 217.05947 147.5
[M]+ 196.08425 139.7
[M]- 196.08535 139.7
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