CID 64187

1-nitrosoadamantane

Structural Information

Molecular Formula
C10H15NO
SMILES
C1C2CC3CC1CC(C2)(C3)N=O
InChI
InChI=1S/C10H15NO/c12-11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKey
NXYRRNWKCSMROR-UHFFFAOYSA-N
Compound name
1-nitrosoadamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

165.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 133.5
[M+Na]+ 188.10459 136.6
[M-H]- 164.10809 130.6
[M+NH4]+ 183.14919 161.2
[M+K]+ 204.07853 134.7
[M+H-H2O]+ 148.11263 127.4
[M+HCOO]- 210.11357 144.5
[M+CH3COO]- 224.12922 144.0
[M+Na-2H]- 186.09004 146.9
[M]+ 165.11482 134.0
[M]- 165.11592 134.0
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