CID 137944688

3-(adamantan-2-yl)azetidine hydrochloride

Structural Information

Molecular Formula
C13H21N
SMILES
C1C2CC3CC1CC(C2)C3C4CNC4
InChI
InChI=1S/C13H21N/c1-8-2-10-4-9(1)5-11(3-8)13(10)12-6-14-7-12/h8-14H,1-7H2
InChIKey
HTXJAFQQOFSGAN-UHFFFAOYSA-N
Compound name
3-(2-adamantyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.1674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 151.3
[M+Na]+ 214.15662 151.8
[M-H]- 190.16012 147.4
[M+NH4]+ 209.20122 167.6
[M+K]+ 230.13056 151.0
[M+H-H2O]+ 174.16466 140.0
[M+HCOO]- 236.16560 154.8
[M+CH3COO]- 250.18125 158.5
[M+Na-2H]- 212.14207 158.8
[M]+ 191.16685 155.4
[M]- 191.16795 155.4
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.