CID 2794228

(4-methoxy-3-nitrophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H10N2O3
SMILES
COC1=C(C=C(C=C1)CN)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O3/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,5,9H2,1H3
InChIKey
IEHOMRHZTHOKRM-UHFFFAOYSA-N
Compound name
(4-methoxy-3-nitrophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

182.06914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 135.1
[M+Na]+ 205.058358 142.6
[M-H]- 181.061864 138.8
[M+NH4]+ 200.102963 154.0
[M+K]+ 221.032298 137.3
[M+H-H2O]+ 165.066400 133.7
[M+HCOO]- 227.067341 161.7
[M+CH3COO]- 241.082991 177.9
[M+Na-2H]- 203.043806 142.6
[M]+ 182.06859142 133.9
[M]- 182.06968858 133.9
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

patents stripe