CID 94293

4567-18-4

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1=[N+](C(CC1)(C)C)[O-]
InChI
InChI=1S/C7H13NO/c1-6-4-5-7(2,3)8(6)9/h4-5H2,1-3H3
InChIKey
QGNOEKXMUHRRJA-UHFFFAOYSA-N
Compound name
2,2,5-trimethyl-1-oxido-3,4-dihydropyrrol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

21
Patents

127.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 125.1
[M+Na]+ 150.088938 134.6
[M-H]- 126.092444 126.9
[M+NH4]+ 145.133543 149.4
[M+K]+ 166.062878 129.1
[M+H-H2O]+ 110.096980 125.9
[M+HCOO]- 172.097921 147.8
[M+CH3COO]- 186.113571 162.6
[M+Na-2H]- 148.074386 132.5
[M]+ 127.09917142 122.9
[M]- 127.10026858 122.9
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

patents stripe