CID 39498

1-(nitroamino)adamantane

Structural Information

Molecular Formula
C10H16N2O2
SMILES
C1C2CC3CC1CC(C2)(C3)N[N+](=O)[O-]
InChI
InChI=1S/C10H16N2O2/c13-12(14)11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2
InChIKey
WVRNBJYPGUJEEC-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

196.12119 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 135.1
[M+Na]+ 219.110408 135.9
[M-H]- 195.113914 130.4
[M+NH4]+ 214.155013 159.8
[M+K]+ 235.084348 130.3
[M+H-H2O]+ 179.118450 134.0
[M+HCOO]- 241.119391 145.3
[M+CH3COO]- 255.135041 188.4
[M+Na-2H]- 217.095856 149.8
[M]+ 196.12064142 132.6
[M]- 196.12173858 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