CID 57563

99900-95-5

Structural Information

Molecular Formula
C12H21NO2
SMILES
C1CCCC(CC1)OC(=O)CCN2CC2
InChI
InChI=1S/C12H21NO2/c14-12(7-8-13-9-10-13)15-11-5-3-1-2-4-6-11/h11H,1-10H2
InChIKey
YDRWEIADTDQASH-UHFFFAOYSA-N
Compound name
cycloheptyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.164506 143.6
[M+Na]+ 234.146448 146.6
[M-H]- 210.149954 149.1
[M+NH4]+ 229.191053 154.7
[M+K]+ 250.120388 148.9
[M+H-H2O]+ 194.154490 136.1
[M+HCOO]- 256.155431 161.1
[M+CH3COO]- 270.171081 190.6
[M+Na-2H]- 232.131896 146.5
[M]+ 211.15668142 140.3
[M]- 211.15777858 140.3
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.