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

22
Patents

105.042595 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.049871 116.5
[M+Na]+ 128.031813 124.1
[M-H]- 104.035319 117.3
[M+NH4]+ 123.076418 139.2
[M+K]+ 144.005753 125.9
[M+H-H2O]+ 88.039855 111.9
[M+HCOO]- 150.040796 142.3
[M+CH3COO]- 164.056446 168.7
[M+Na-2H]- 126.017261 124.2
[M]+ 105.04204642 118.9
[M]- 105.04314358 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