CID 409440

Methyl[(4-nitrophenyl)methyl]amine hydrochloride

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CNCC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O2/c1-9-6-7-2-4-8(5-3-7)10(11)12/h2-5,9H,6H2,1H3
InChIKey
JLKRJHPQNYVSGM-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-nitrophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

166.07423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 131.9
[M+Na]+ 189.063448 138.6
[M-H]- 165.066954 135.8
[M+NH4]+ 184.108053 151.4
[M+K]+ 205.037388 133.2
[M+H-H2O]+ 149.071490 130.5
[M+HCOO]- 211.072431 159.0
[M+CH3COO]- 225.088081 175.4
[M+Na-2H]- 187.048896 141.0
[M]+ 166.07368142 130.0
[M]- 166.07477858 130.0
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