CID 116861

70729-70-3

Structural Information

Molecular Formula
C12H24ClN2O2
SMILES
CC(=C)C(=O)NCCC[N+](C)(C)CC(CCl)O
InChI
InChI=1S/C12H23ClN2O2/c1-10(2)12(17)14-6-5-7-15(3,4)9-11(16)8-13/h11,16H,1,5-9H2,2-4H3/p+1
InChIKey
FIGARVKDQMGKKT-UHFFFAOYSA-O
Compound name
(3-chloro-2-hydroxypropyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

263.15262 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15990 160.6
[M+Na]+ 286.14184 164.6
[M-H]- 262.14534 160.3
[M+NH4]+ 281.18644 177.5
[M+K]+ 302.11578 156.5
[M+H-H2O]+ 246.14988 159.1
[M+HCOO]- 308.15082 176.0
[M+CH3COO]- 322.16647 195.7
[M+Na-2H]- 284.12729 164.1
[M]+ 263.15207 161.5
[M]- 263.15317 161.5
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.