CID 423994

99901-07-2

Structural Information

Molecular Formula
C7H14NO2
SMILES
C[N+]1(CC1)CCC(=O)OC
InChI
InChI=1S/C7H14NO2/c1-8(5-6-8)4-3-7(9)10-2/h3-6H2,1-2H3/q+1
InChIKey
GGXHEQVZSQSVEG-UHFFFAOYSA-N
Compound name
methyl 3-(1-methylaziridin-1-ium-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.10245 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10973 126.7
[M+Na]+ 167.09167 136.2
[M-H]- 143.09517 130.5
[M+NH4]+ 162.13627 144.1
[M+K]+ 183.06561 130.6
[M+H-H2O]+ 127.09971 124.3
[M+HCOO]- 189.10065 148.5
[M+CH3COO]- 203.11630 171.2
[M+Na-2H]- 165.07712 136.2
[M]+ 144.10190 129.8
[M]- 144.10300 129.8
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.