CID 18743

Mepiquat

Structural Information

Molecular Formula
C7H16N
SMILES
C[N+]1(CCCCC1)C
InChI
InChI=1S/C7H16N/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3/q+1
InChIKey
NNCAWEWCFVZOGF-UHFFFAOYSA-N
Compound name
1,1-dimethylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

57
References

16607
Patents

114.12827 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.13555 122.5
[M+Na]+ 137.11749 128.5
[M-H]- 113.12099 124.6
[M+NH4]+ 132.16209 145.7
[M+K]+ 153.09143 122.7
[M+H-H2O]+ 97.125530 120.2
[M+HCOO]- 159.12647 141.7
[M+CH3COO]- 173.14212 162.4
[M+Na-2H]- 135.10294 132.2
[M]+ 114.12772 116.5
[M]- 114.12882 116.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe