CID 357113

Nsc614998

Structural Information

Molecular Formula
C11H17N3
SMILES
CC12CC3CC(C1)CC(C3)(C2)N=[N+]=[N-]
InChI
InChI=1S/C11H17N3/c1-10-3-8-2-9(4-10)6-11(5-8,7-10)13-14-12/h8-9H,2-7H2,1H3
InChIKey
ZTZVVHOMAGTOJW-UHFFFAOYSA-N
Compound name
1-azido-3-methyladamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.14224 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 134.1
[M+Na]+ 214.13146 136.4
[M-H]- 190.13496 132.1
[M+NH4]+ 209.17606 162.0
[M+K]+ 230.10540 130.0
[M+H-H2O]+ 174.13950 131.4
[M+HCOO]- 236.14044 148.5
[M+CH3COO]- 250.15609 194.6
[M+Na-2H]- 212.11691 150.6
[M]+ 191.14169 131.8
[M]- 191.14279 131.8
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.