CID 3068462

1,1-dimethyl-1-(2,3-dimethyl-2-hydroxy-3-butenyl)-2-methacryloylhydrazinium hydroxide inner

Structural Information

Molecular Formula
C12H23N2O2
SMILES
CC(=C)C(=O)N[N+](C)(C)CC(C)(C(=C)C)O
InChI
InChI=1S/C12H22N2O2/c1-9(2)11(15)13-14(6,7)8-12(5,16)10(3)4/h16H,1,3,8H2,2,4-7H3/p+1
InChIKey
SCCNWIBTPKIODJ-UHFFFAOYSA-O
Compound name
(2-hydroxy-2,3-dimethylbut-3-enyl)-dimethyl-(2-methylprop-2-enoylamino)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.17595 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.18323 149.5
[M+Na]+ 250.16517 153.7
[M-H]- 226.16867 149.9
[M+NH4]+ 245.20977 167.1
[M+K]+ 266.13911 147.7
[M+H-H2O]+ 210.17321 148.0
[M+HCOO]- 272.17415 168.1
[M+CH3COO]- 286.18980 191.1
[M+Na-2H]- 248.15062 155.0
[M]+ 227.17540 147.3
[M]- 227.17650 147.3
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.