CID 1774

3317-61-1

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1(CCC=[N+]1[O-])C
InChI
InChI=1S/C6H11NO/c1-6(2)4-3-5-7(6)8/h5H,3-4H2,1-2H3
InChIKey
VCUVETGKTILCLC-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

762
References

5429
Patents

113.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 121.6
[M+Na]+ 136.07328 130.6
[M-H]- 112.07678 123.2
[M+NH4]+ 131.11788 146.1
[M+K]+ 152.04722 125.4
[M+H-H2O]+ 96.081320 122.2
[M+HCOO]- 158.08226 144.6
[M+CH3COO]- 172.09791 158.5
[M+Na-2H]- 134.05873 130.1
[M]+ 113.08351 118.7
[M]- 113.08461 118.7
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