CID 42643072

2-azaadamantane-n-oxyl

Structural Information

Molecular Formula
C9H14NO
SMILES
C1C2CC3CC1CC(C2)N3[O]
InChI
InChI=1S/C9H14NO/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
InChIKey
BCJCJALHNXSXKE-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

152.10754 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.114816 132.1
[M+Na]+ 175.096758 135.5
[M-H]- 151.100264 126.8
[M+NH4]+ 170.141363 157.1
[M+K]+ 191.070698 133.9
[M+H-H2O]+ 135.104800 126.2
[M+HCOO]- 197.105741 139.7
[M+CH3COO]- 211.121391 142.1
[M+Na-2H]- 173.082206 143.7
[M]+ 152.10699142 132.6
[M]- 152.10808858 132.6
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