CID 137951909

2-isocyanatospiro[3.3]heptane

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CC2(C1)CC(C2)N=C=O
InChI
InChI=1S/C8H11NO/c10-6-9-7-4-8(5-7)2-1-3-8/h7H,1-5H2
InChIKey
PVRRZOBNVIUBQZ-UHFFFAOYSA-N
Compound name
2-isocyanatospiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

137.08406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 135.3
[M+Na]+ 160.07328 136.5
[M+NH4]+ 155.11788 137.5
[M+K]+ 176.04722 132.8
[M-H]- 136.07678 132.8
[M+Na-2H]- 158.05873 137.0
[M]+ 137.08351 132.5
[M]- 137.08461 132.5
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

patents stripe