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
2
Annotation Hits

0
References

159
Patents

198.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 155.2
[M+Na]+ 221.12605 165.1
[M-H]- 197.12955 154.2
[M+NH4]+ 216.17065 176.4
[M+K]+ 237.09999 157.3
[M+H-H2O]+ 181.13409 156.3
[M+HCOO]- 243.13503 164.2
[M+CH3COO]- 257.15068 194.1
[M+Na-2H]- 219.11150 166.0
[M]+ 198.13628 153.2
[M]- 198.13738 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