CID 24744226

N9l6nfa4qt

Structural Information

Molecular Formula
C3H7NO3
SMILES
CC(CO)ON=O
InChI
InChI=1S/C3H7NO3/c1-3(2-5)7-4-6/h3,5H,2H2,1H3
InChIKey
ZXZWGJHOJDQRLA-UHFFFAOYSA-N
Compound name
1-hydroxypropan-2-yl 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

No literature data available for this compound.

Patent stripe

patents stripe