CID 10940

Oxapropanium iodide

Structural Information

Molecular Formula
C7H16NO2
SMILES
C[N+](C)(C)CC1COCO1
InChI
InChI=1S/C7H16NO2/c1-8(2,3)4-7-5-9-6-10-7/h7H,4-6H2,1-3H3/q+1
InChIKey
HJPHIJVSRJVAGC-UHFFFAOYSA-N
Compound name
1,3-dioxolan-4-ylmethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

247
Patents

146.1181 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.125376 128.0
[M+Na]+ 169.107318 134.0
[M-H]- 145.110824 134.0
[M+NH4]+ 164.151923 148.8
[M+K]+ 185.081258 131.6
[M+H-H2O]+ 129.115360 126.2
[M+HCOO]- 191.116301 150.1
[M+CH3COO]- 205.131951 171.5
[M+Na-2H]- 167.092766 139.2
[M]+ 146.11755142 127.9
[M]- 146.11864858 127.9
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