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
1
Annotation Hits

0
References

238
Patents

146.1181 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.12538 128.0
[M+Na]+ 169.10732 134.0
[M-H]- 145.11082 134.0
[M+NH4]+ 164.15192 148.8
[M+K]+ 185.08126 131.6
[M+H-H2O]+ 129.11536 126.2
[M+HCOO]- 191.11630 150.1
[M+CH3COO]- 205.13195 171.5
[M+Na-2H]- 167.09277 139.2
[M]+ 146.11755 127.9
[M]- 146.11865 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