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 134.4
[M+Na]+ 174.08894 142.2
[M-H]- 150.09244 141.9
[M+NH4]+ 169.13354 153.1
[M+K]+ 190.06288 141.0
[M+H-H2O]+ 134.09698 128.7
[M+HCOO]- 196.09792 157.5
[M+CH3COO]- 210.11357 181.3
[M+Na-2H]- 172.07439 142.1
[M]+ 151.09917 133.4
[M]- 151.10027 133.4
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.