CID 111808

68928-62-1

Structural Information

Molecular Formula
C11H22NO3
SMILES
CC(C[N+](C)(C)CCOC(=O)C(=C)C)O
InChI
InChI=1S/C11H22NO3/c1-9(2)11(14)15-7-6-12(4,5)8-10(3)13/h10,13H,1,6-8H2,2-5H3/q+1
InChIKey
ZNGFKTWWOCWXNB-UHFFFAOYSA-N
Compound name
2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.15997 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16725 148.9
[M+Na]+ 239.14919 153.7
[M-H]- 215.15269 149.2
[M+NH4]+ 234.19379 167.3
[M+K]+ 255.12313 148.4
[M+H-H2O]+ 199.15723 147.0
[M+HCOO]- 261.15817 168.4
[M+CH3COO]- 275.17382 186.0
[M+Na-2H]- 237.13464 153.4
[M]+ 216.15942 149.9
[M]- 216.16052 149.9
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

patents stripe