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]+ 212.16451 143.6
[M+Na]+ 234.14645 146.6
[M-H]- 210.14995 149.1
[M+NH4]+ 229.19105 154.7
[M+K]+ 250.12039 148.9
[M+H-H2O]+ 194.15449 136.1
[M+HCOO]- 256.15543 161.1
[M+CH3COO]- 270.17108 190.6
[M+Na-2H]- 232.13190 146.5
[M]+ 211.15668 140.3
[M]- 211.15778 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.