CID 16739326

2-hydroxy propyl nitrite

Structural Information

Molecular Formula
C3H7NO3
SMILES
CC(CON=O)O
InChI
InChI=1S/C3H7NO3/c1-3(5)2-7-4-6/h3,5H,2H2,1H3
InChIKey
KZMYCIZNYWKOFQ-UHFFFAOYSA-N
Compound name
2-hydroxypropyl nitrite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

105.042595 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.04987 116.5
[M+Na]+ 128.03181 124.1
[M-H]- 104.03532 117.3
[M+NH4]+ 123.07642 139.2
[M+K]+ 144.00575 125.9
[M+H-H2O]+ 88.039855 111.9
[M+HCOO]- 150.04080 142.3
[M+CH3COO]- 164.05645 168.7
[M+Na-2H]- 126.01726 124.2
[M]+ 105.04205 118.9
[M]- 105.04314 118.9
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