CID 39795

1-hydroxy-3-adamantanecarboxylic acid nitrate

Structural Information

Molecular Formula
C11H15NO5
SMILES
C1C2CC3(CC1CC(C2)(C3)O[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C11H15NO5/c13-9(14)10-2-7-1-8(3-10)5-11(4-7,6-10)17-12(15)16/h7-8H,1-6H2,(H,13,14)
InChIKey
MMKIPPCYRFXALZ-UHFFFAOYSA-N
Compound name
3-nitrooxyadamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

241.09502 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10230 148.4
[M+Na]+ 264.08424 149.8
[M-H]- 240.08774 142.3
[M+NH4]+ 259.12884 172.4
[M+K]+ 280.05818 144.6
[M+H-H2O]+ 224.09228 147.6
[M+HCOO]- 286.09322 155.0
[M+CH3COO]- 300.10887 189.8
[M+Na-2H]- 262.06969 162.3
[M]+ 241.09447 148.5
[M]- 241.09557 148.5
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