CID 11701254

Ec 411-280-2

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1C2CC(C1CC2CN=C=O)CN=C=O
InChI
InChI=1S/C11H14N2O2/c14-6-12-4-10-2-8-1-9(10)3-11(8)5-13-7-15/h8-11H,1-5H2
InChIKey
LEAAXJONQWQISB-UHFFFAOYSA-N
Compound name
2,5-bis(isocyanatomethyl)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2838
Patents

206.10553 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 144.7
[M+Na]+ 229.09475 151.6
[M-H]- 205.09825 149.9
[M+NH4]+ 224.13935 169.5
[M+K]+ 245.06869 149.7
[M+H-H2O]+ 189.10279 139.2
[M+HCOO]- 251.10373 171.4
[M+CH3COO]- 265.11938 194.0
[M+Na-2H]- 227.08020 148.8
[M]+ 206.10498 146.0
[M]- 206.10608 146.0
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

patents stripe