CID 3068464

2-benzoyl-1,1-dimethyl-1-(2-hydroxy-2-methyl-3-butenyl)hydrazinium hydroxide inner salt

Structural Information

Molecular Formula
C14H21N2O2
SMILES
CC(C[N+](C)(C)NC(=O)C1=CC=CC=C1)(C=C)O
InChI
InChI=1S/C14H20N2O2/c1-5-14(2,18)11-16(3,4)15-13(17)12-9-7-6-8-10-12/h5-10,18H,1,11H2,2-4H3/p+1
InChIKey
JCXZKXQMMMYFNF-UHFFFAOYSA-O
Compound name
benzamido-(2-hydroxy-2-methylbut-3-enyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.16031 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16759 155.6
[M+Na]+ 272.14953 160.1
[M-H]- 248.15303 159.0
[M+NH4]+ 267.19413 172.0
[M+K]+ 288.12347 152.4
[M+H-H2O]+ 232.15757 152.4
[M+HCOO]- 294.15851 176.8
[M+CH3COO]- 308.17416 192.1
[M+Na-2H]- 270.13498 164.9
[M]+ 249.15976 153.7
[M]- 249.16086 153.7
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.