CID 11672

2-methyl-2-nitropropane

Structural Information

Molecular Formula
C4H9NO2
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
2
Annotation Hits

3
References

1624
Patents

103.06333 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 117.2
[M+Na]+ 126.05255 128.6
[M+NH4]+ 121.09715 125.6
[M+K]+ 142.02649 126.9
[M-H]- 102.05605 117.8
[M+Na-2H]- 124.03800 121.7
[M]+ 103.06278 118.8
[M]- 103.06388 118.8
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