CID 11672

2-methyl-2-nitropropane

Structural Information

Molecular Formula

SMILES

CC(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3

InChIKey

AIMREYQYBFBEGQ-UHFFFAOYSA-N

Compound name

2-methyl-2-nitropropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 2369
Patents: 103.06333 Da
Monoisotopic Mass: 1.2
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]+	104.07061	117.8
[M+Na]+	126.05255	125.9
[M-H]-	102.05605	119.0
[M+NH4]+	121.09715	140.7
[M+K]+	142.02649	122.9
[M+H-H2O]+	86.060590	119.2
[M+HCOO]-	148.06153	142.2
[M+CH3COO]-	162.07718	161.8
[M+Na-2H]-	124.03800	127.7
[M]+	103.06278	116.9
[M]-	103.06388	116.9

Literature stripe

literature stripe

Patent stripe

patents stripe