CID 14120503

(2r)-5-nitropentan-2-ol

Structural Information

Molecular Formula
C5H11NO3
SMILES
C[C@H](CCC[N+](=O)[O-])O
InChI
InChI=1S/C5H11NO3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKey
RITXFFWHWOKLTO-RXMQYKEDSA-N
Compound name
(2R)-5-nitropentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

133.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 125.5
[M+Na]+ 156.06312 135.6
[M+NH4]+ 151.10772 132.9
[M+K]+ 172.03706 134.0
[M-H]- 132.06662 125.4
[M+Na-2H]- 154.04857 128.3
[M]+ 133.07335 126.5
[M]- 133.07445 126.5
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