CID 144501

71648-41-4

Structural Information

Molecular Formula
C10H17NO4
SMILES
COC(=O)CCC1(CCCCC1)[N+](=O)[O-]
InChI
InChI=1S/C10H17NO4/c1-15-9(12)5-8-10(11(13)14)6-3-2-4-7-10/h2-8H2,1H3
InChIKey
AVXYQXCOTAFKQF-UHFFFAOYSA-N
Compound name
methyl 3-(1-nitrocyclohexyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.11575 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 148.2
[M+Na]+ 238.10497 157.7
[M+NH4]+ 233.14957 156.8
[M+K]+ 254.07891 153.5
[M-H]- 214.10847 149.9
[M+Na-2H]- 236.09042 153.0
[M]+ 215.11520 149.8
[M]- 215.11630 149.8
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

No patent data available for this compound.