CID 118132

1,4,4-trimethyl-2,3-diazabicyclo[3.2.2]non-2-ene 2,3-dioxide

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC1(C2CCC(CC2)(N([N+]1=O)[O-])C)C
InChI
InChI=1S/C10H18N2O2/c1-9(2)8-4-6-10(3,7-5-8)12(14)11(9)13/h8H,4-7H2,1-3H3
InChIKey
JTSXFTWPBWFCPA-UHFFFAOYSA-N
Compound name
1,4,4-trimethyl-2-oxido-2-aza-3-azoniabicyclo[3.2.2]nonane 3-oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

140
Patents

198.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 155.2
[M+Na]+ 221.126048 165.1
[M-H]- 197.129554 154.2
[M+NH4]+ 216.170653 176.4
[M+K]+ 237.099988 157.3
[M+H-H2O]+ 181.134090 156.3
[M+HCOO]- 243.135031 164.2
[M+CH3COO]- 257.150681 194.1
[M+Na-2H]- 219.111496 166.0
[M]+ 198.13628142 153.2
[M]- 198.13737858 153.2
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