CID 10725723

(1s)-1-(2-nitrophenyl)ethan-1-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

119
Patents

166.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 132.3
[M+Na]+ 189.063448 138.8
[M-H]- 165.066954 135.7
[M+NH4]+ 184.108053 151.5
[M+K]+ 205.037388 133.4
[M+H-H2O]+ 149.071490 131.1
[M+HCOO]- 211.072431 157.8
[M+CH3COO]- 225.088081 175.4
[M+Na-2H]- 187.048896 139.1
[M]+ 166.07368142 128.7
[M]- 166.07477858 128.7
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