CID 135481880

Ammonium, (2-(2,2-dicyano-1-hydroxyvinyloxy)ethyl)trimethyl-, hydroxide, inner salt

Structural Information

Molecular Formula
C9H14N3O2
SMILES
C[N+](C)(C)CCOC(=O)C(=C=N)C#N
InChI
InChI=1S/C9H14N3O2/c1-12(2,3)4-5-14-9(13)8(6-10)7-11/h10H,4-5H2,1-3H3/q+1
InChIKey
KVZHJVIGLJVPKF-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.1086 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11588 145.9
[M+Na]+ 219.09782 153.0
[M-H]- 195.10132 147.9
[M+NH4]+ 214.14242 163.2
[M+K]+ 235.07176 148.2
[M+H-H2O]+ 179.10586 136.6
[M+HCOO]- 241.10680 165.7
[M+CH3COO]- 255.12245 196.2
[M+Na-2H]- 217.08327 152.1
[M]+ 196.10805 140.4
[M]- 196.10915 140.4
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

No patent data available for this compound.