CID 11680127

(1s)-1-(3-nitrophenyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])N
InChI
InChI=1S/C9H12N2O2/c1-2-9(10)7-4-3-5-8(6-7)11(12)13/h3-6,9H,2,10H2,1H3/t9-/m0/s1
InChIKey
ONWQSIRAWSRGBH-VIFPVBQESA-N
Compound name
(1S)-1-(3-nitrophenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 137.1
[M+Na]+ 203.07909 143.2
[M-H]- 179.08259 140.4
[M+NH4]+ 198.12369 155.8
[M+K]+ 219.05303 137.6
[M+H-H2O]+ 163.08713 135.7
[M+HCOO]- 225.08807 162.3
[M+CH3COO]- 239.10372 178.5
[M+Na-2H]- 201.06454 143.4
[M]+ 180.08932 134.0
[M]- 180.09042 134.0
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

No patent data available for this compound.