CID 96873

74037-56-2

Structural Information

Molecular Formula
C8H11N3O3
SMILES
COCCNC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H11N3O3/c1-14-5-4-9-8-3-2-7(6-10-8)11(12)13/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKey
MQTQGKHTBLYEGM-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

197.08005 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08733 138.7
[M+Na]+ 220.06927 145.2
[M-H]- 196.07277 141.2
[M+NH4]+ 215.11387 155.6
[M+K]+ 236.04321 140.1
[M+H-H2O]+ 180.07731 136.0
[M+HCOO]- 242.07825 164.8
[M+CH3COO]- 256.09390 180.2
[M+Na-2H]- 218.05472 148.3
[M]+ 197.07950 138.6
[M]- 197.08060 138.6
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