CID 11749

2-nitrobutane

Structural Information

Molecular Formula
C4H9NO2
SMILES
CCC(C)[N+](=O)[O-]
InChI
InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3
InChIKey
SUGZATOHBPXTDV-UHFFFAOYSA-N
Compound name
2-nitrobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

486
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 117.9
[M+Na]+ 126.05255 129.2
[M+NH4]+ 121.09715 126.4
[M+K]+ 142.02649 127.0
[M-H]- 102.05605 118.9
[M+Na-2H]- 124.03800 122.1
[M]+ 103.06278 119.5
[M]- 103.06388 119.5
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