CID 12423131

Benzenemethanamine, 5-methoxy-2-nitro-, hydrochloride (1:1)

Structural Information

Molecular Formula
C8H10N2O3
SMILES
COC1=CC(=C(C=C1)[N+](=O)[O-])CN
InChI
InChI=1S/C8H10N2O3/c1-13-7-2-3-8(10(11)12)6(4-7)5-9/h2-4H,5,9H2,1H3
InChIKey
DZJKVKCPWQBJSU-UHFFFAOYSA-N
Compound name
(5-methoxy-2-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]+ 183.07642 135.1
[M+Na]+ 205.05836 142.6
[M-H]- 181.06186 138.8
[M+NH4]+ 200.10296 154.0
[M+K]+ 221.03230 137.3
[M+H-H2O]+ 165.06640 133.7
[M+HCOO]- 227.06734 161.7
[M+CH3COO]- 241.08299 177.9
[M+Na-2H]- 203.04381 142.6
[M]+ 182.06859 133.9
[M]- 182.06969 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

No literature data available for this compound.

Patent stripe

patents stripe