CID 494352

Nsc614997

Structural Information

Molecular Formula
C14H19N3
SMILES
C1C2CC3C4C1C5CC(C4)C(C3C5C2)N=[N+]=[N-]
InChI
InChI=1S/C14H19N3/c15-17-16-14-7-4-9-8-1-6-2-11(9)13(14)12(3-6)10(8)5-7/h6-14H,1-5H2
InChIKey
CVWSCSWWTNHQQQ-UHFFFAOYSA-N
Compound name
3-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 132.7
[M+Na]+ 252.14712 129.3
[M-H]- 228.15062 129.0
[M+NH4]+ 247.19172 155.9
[M+K]+ 268.12106 122.4
[M+H-H2O]+ 212.15516 126.8
[M+HCOO]- 274.15610 138.1
[M+CH3COO]- 288.17175 212.8
[M+Na-2H]- 250.13257 146.2
[M]+ 229.15735 128.8
[M]- 229.15845 128.8
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

No patent data available for this compound.