CID 131751912

(r)-2-nitro-p-mentha-1,5-diene

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC1=C(C[C@@H](C=C1)C(C)C)[N+](=O)[O-]
InChI
InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-5,7,9H,6H2,1-3H3/t9-/m1/s1
InChIKey
RIPRCNJJZGOFLC-SECBINFHSA-N
Compound name
(5R)-2-methyl-1-nitro-5-propan-2-ylcyclohexa-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 138.9
[M+Na]+ 204.09950 145.5
[M-H]- 180.10300 142.7
[M+NH4]+ 199.14410 158.6
[M+K]+ 220.07344 140.4
[M+H-H2O]+ 164.10754 138.2
[M+HCOO]- 226.10848 162.0
[M+CH3COO]- 240.12413 179.1
[M+Na-2H]- 202.08495 143.8
[M]+ 181.10973 136.9
[M]- 181.11083 136.9
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

No patent data available for this compound.