CID 24688

2-methylbutyl nitrite

Structural Information

Molecular Formula
C5H11NO2
SMILES
CCC(C)CON=O
InChI
InChI=1S/C5H11NO2/c1-3-5(2)4-8-6-7/h5H,3-4H2,1-2H3
InChIKey
SPPJRKXICASMOA-UHFFFAOYSA-N
Compound name
2-methylbutyl nitrite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

117.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 122.4
[M+Na]+ 140.06820 129.7
[M-H]- 116.07170 124.4
[M+NH4]+ 135.11280 145.5
[M+K]+ 156.04214 131.4
[M+H-H2O]+ 100.07624 117.5
[M+HCOO]- 162.07718 148.8
[M+CH3COO]- 176.09283 175.5
[M+Na-2H]- 138.05365 129.6
[M]+ 117.07843 126.0
[M]- 117.07953 126.0
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