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
3
Annotation Hits

3
References

2451
Patents

103.06333 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 117.8
[M+Na]+ 126.052548 125.9
[M-H]- 102.056054 119.0
[M+NH4]+ 121.097153 140.7
[M+K]+ 142.026488 122.9
[M+H-H2O]+ 86.060590 119.2
[M+HCOO]- 148.061531 142.2
[M+CH3COO]- 162.077181 161.8
[M+Na-2H]- 124.037996 127.7
[M]+ 103.06278142 116.9
[M]- 103.06387858 116.9
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