CID 59661

1-(1-adamantyl)aziridine

Structural Information

Molecular Formula
C12H19N
SMILES
C1CN1C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C12H19N/c1-2-13(1)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2
InChIKey
BDTPMEOQGIXSBL-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)aziridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11
Patents

177.15175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 144.6
[M+Na]+ 200.14097 149.3
[M-H]- 176.14447 142.5
[M+NH4]+ 195.18557 164.9
[M+K]+ 216.11491 145.4
[M+H-H2O]+ 160.14901 136.3
[M+HCOO]- 222.14995 150.3
[M+CH3COO]- 236.16560 153.3
[M+Na-2H]- 198.12642 155.0
[M]+ 177.15120 145.2
[M]- 177.15230 145.2
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