CID 151490

10135-38-3

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1(CC([N+](=C1)[O-])(C)C)C
InChI
InChI=1S/C8H15NO/c1-7(2)5-8(3,4)9(10)6-7/h6H,5H2,1-4H3
InChIKey
GUQARRULARNYQZ-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-1-oxido-3H-pyrrol-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

153
Patents

141.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 127.0
[M+Na]+ 164.104588 137.0
[M-H]- 140.108094 129.0
[M+NH4]+ 159.149193 152.7
[M+K]+ 180.078528 131.5
[M+H-H2O]+ 124.112630 128.5
[M+HCOO]- 186.113571 149.4
[M+CH3COO]- 200.129221 165.4
[M+Na-2H]- 162.090036 135.3
[M]+ 141.11482142 125.6
[M]- 141.11591858 125.6
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