CID 15752299

140373-78-0

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(CO)N
InChI
InChI=1S/C8H10N2O3/c9-8(5-11)6-2-1-3-7(4-6)10(12)13/h1-4,8,11H,5,9H2
InChIKey
YSLPTGOAVRWPDS-UHFFFAOYSA-N
Compound name
2-amino-2-(3-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

182.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 135.2
[M+Na]+ 205.058358 141.1
[M-H]- 181.061864 137.2
[M+NH4]+ 200.102963 152.9
[M+K]+ 221.032298 135.3
[M+H-H2O]+ 165.066400 133.9
[M+HCOO]- 227.067341 159.4
[M+CH3COO]- 241.082991 174.7
[M+Na-2H]- 203.043806 141.7
[M]+ 182.06859142 131.1
[M]- 182.06968858 131.1
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

patents stripe