CID 219796

Nsc1482

Structural Information

Molecular Formula
C14H25NO3
SMILES
C[C@]12CC[C@@H](C1(C)C)C[C@@H]2OCC(C)(C)[N+](=O)[O-]
InChI
InChI=1S/C14H25NO3/c1-12(2,15(16)17)9-18-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,6-9H2,1-5H3/t10-,11+,14-/m1/s1
InChIKey
BJPQXEZVCKJQEG-UHIISALHSA-N
Compound name
(1S,2S,4R)-1,7,7-trimethyl-2-(2-methyl-2-nitropropoxy)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 162.6
[M+Na]+ 278.172658 169.0
[M-H]- 254.176164 165.4
[M+NH4]+ 273.217263 188.1
[M+K]+ 294.146598 163.4
[M+H-H2O]+ 238.180700 165.1
[M+HCOO]- 300.181641 181.8
[M+CH3COO]- 314.197291 191.7
[M+Na-2H]- 276.158106 169.2
[M]+ 255.18289142 163.3
[M]- 255.18398858 163.3
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.