CID 106717

Einecs 261-329-5

Structural Information

Molecular Formula
C11H21ClNO3
SMILES
CC(=C)C(=O)OCC[N+](C)(C)CC(CCl)O
InChI
InChI=1S/C11H21ClNO3/c1-9(2)11(15)16-6-5-13(3,4)8-10(14)7-12/h10,14H,1,5-8H2,2-4H3/q+1
InChIKey
TXZDFERKDKICLU-UHFFFAOYSA-N
Compound name
(3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

222
Patents

250.121 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12828 154.4
[M+Na]+ 273.11022 159.7
[M-H]- 249.11372 154.5
[M+NH4]+ 268.15482 172.2
[M+K]+ 289.08416 152.3
[M+H-H2O]+ 233.11826 153.4
[M+HCOO]- 295.11920 169.5
[M+CH3COO]- 309.13485 189.8
[M+Na-2H]- 271.09567 158.4
[M]+ 250.12045 157.3
[M]- 250.12155 157.3
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

patents stripe