CID 4335

N-acetyl-p-nitrophenylserinol

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CC(=O)NC(CO)C(C1=CC=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C11H14N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16H,6H2,1H3,(H,12,15)
InChIKey
PIVQDUYOEIAFDM-UHFFFAOYSA-N
Compound name
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

24
Patents

254.09027 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 153.2
[M+Na]+ 277.07949 156.8
[M-H]- 253.08299 153.8
[M+NH4]+ 272.12409 167.1
[M+K]+ 293.05343 151.5
[M+H-H2O]+ 237.08753 151.3
[M+HCOO]- 299.08847 174.1
[M+CH3COO]- 313.10412 186.2
[M+Na-2H]- 275.06494 156.6
[M]+ 254.08972 149.9
[M]- 254.09082 149.9
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