CID 10929

Isopropyl nitrite

Structural Information

Molecular Formula
C3H7NO2
SMILES
CC(C)ON=O
InChI
InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3
InChIKey
SKRDXYBATCVEMS-UHFFFAOYSA-N
Compound name
propan-2-yl nitrite
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

1638
Patents

89.047676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.054952 113.0
[M+Na]+ 112.036894 121.0
[M-H]- 88.040400 115.3
[M+NH4]+ 107.081499 137.1
[M+K]+ 128.010834 123.3
[M+H-H2O]+ 72.044936 108.4
[M+HCOO]- 134.045877 140.0
[M+CH3COO]- 148.061527 169.4
[M+Na-2H]- 110.022342 121.2
[M]+ 89.04712742 115.8
[M]- 89.04822458 115.8
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