CID 82417305

6-isocyanatospiro[2.5]octane

Structural Information

Molecular Formula
C9H13NO
SMILES
C1CC2(CCC1N=C=O)CC2
InChI
InChI=1S/C9H13NO/c11-7-10-8-1-3-9(4-2-8)5-6-9/h8H,1-6H2
InChIKey
DOBNLYXJSDUWIR-UHFFFAOYSA-N
Compound name
6-isocyanatospiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.09972 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 135.4
[M+Na]+ 174.08894 147.5
[M+NH4]+ 169.13354 146.7
[M+K]+ 190.06288 140.3
[M-H]- 150.09244 145.9
[M+Na-2H]- 172.07439 145.5
[M]+ 151.09917 141.2
[M]- 151.10027 141.2
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.