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]+ 181.097146 137.1
[M+Na]+ 203.079088 143.2
[M-H]- 179.082594 140.4
[M+NH4]+ 198.123693 155.8
[M+K]+ 219.053028 137.6
[M+H-H2O]+ 163.087130 135.7
[M+HCOO]- 225.088071 162.3
[M+CH3COO]- 239.103721 178.5
[M+Na-2H]- 201.064536 143.4
[M]+ 180.08932142 134.0
[M]- 180.09041858 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.