CID 11368515

64138-65-4

Structural Information

Molecular Formula
C13H13N3O2
SMILES
C[C@H](C1=CC=CC=C1)NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H13N3O2/c1-10(11-5-3-2-4-6-11)15-13-8-7-12(9-14-13)16(17)18/h2-10H,1H3,(H,14,15)/t10-/m1/s1
InChIKey
RAKMWGKBCDCUDX-SNVBAGLBSA-N
Compound name
5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

243.10077 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 151.8
[M+Na]+ 266.08999 157.0
[M-H]- 242.09349 157.1
[M+NH4]+ 261.13459 166.2
[M+K]+ 282.06393 149.9
[M+H-H2O]+ 226.09803 147.7
[M+HCOO]- 288.09897 176.3
[M+CH3COO]- 302.11462 189.8
[M+Na-2H]- 264.07544 160.2
[M]+ 243.10022 148.9
[M]- 243.10132 148.9
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