CID 11789177

27675-38-3

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC(C)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C5H9NO2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3/b4-3+
InChIKey
ARGNGGCUTGQKIA-ONEGZZNKSA-N
Compound name
(E)-3-methyl-1-nitrobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

115.06333 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 122.4
[M+Na]+ 138.05255 129.7
[M-H]- 114.05605 123.1
[M+NH4]+ 133.09715 144.5
[M+K]+ 154.02649 125.8
[M+H-H2O]+ 98.060590 123.0
[M+HCOO]- 160.06153 147.2
[M+CH3COO]- 174.07718 164.4
[M+Na-2H]- 136.03800 129.5
[M]+ 115.06278 121.0
[M]- 115.06388 121.0
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