CID 10656631

85160-84-5

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₄

SMILES

CC1(C(=O)NC2=C(O1)C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C10H10N2O4/c1-10(2)9(13)11-7-5-6(12(14)15)3-4-8(7)16-10/h3-5H,1-2H3,(H,11,13)

InChIKey

YKXZRZGZJZYBBH-UHFFFAOYSA-N

Compound name

2,2-dimethyl-6-nitro-4H-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 222.06406 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.07134	144.3
[M+Na]+	245.05328	157.7
[M+NH4]+	240.09788	153.1
[M+K]+	261.02722	153.5
[M-H]-	221.05678	147.8
[M+Na-2H]-	243.03873	149.8
[M]+	222.06351	147.2
[M]-	222.06461	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe