CID 18468134

(4-methyl-3-nitrophenyl)methanamine

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=C(C=C(C=C1)CN)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,5,9H2,1H3
InChIKey
SYGIBQOBTAYVCA-UHFFFAOYSA-N
Compound name
(4-methyl-3-nitrophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

166.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 131.9
[M+Na]+ 189.06345 144.9
[M+NH4]+ 184.10805 140.5
[M+K]+ 205.03739 141.6
[M-H]- 165.06695 136.0
[M+Na-2H]- 187.04890 138.6
[M]+ 166.07368 134.8
[M]- 166.07478 134.8
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