CID 57563

Cycloheptyl 3-(aziridin-1-yl)propanoate

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]+ 212.16451 148.0
[M+Na]+ 234.14645 156.8
[M+NH4]+ 229.19105 155.3
[M+K]+ 250.12039 154.1
[M-H]- 210.14995 155.6
[M+Na-2H]- 232.13190 154.8
[M]+ 211.15668 152.2
[M]- 211.15778 152.2
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.