CID 75481301

3-(isocyanatomethyl)cyclopent-1-ene

Structural Information

Molecular Formula
C7H9NO
SMILES
C1CC(C=C1)CN=C=O
InChI
InChI=1S/C7H9NO/c9-6-8-5-7-3-1-2-4-7/h1,3,7H,2,4-5H2
InChIKey
YDZGIOOCUXHUSX-UHFFFAOYSA-N
Compound name
3-(isocyanatomethyl)cyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.06841 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 125.7
[M+Na]+ 146.05763 136.0
[M+NH4]+ 141.10223 134.6
[M+K]+ 162.03157 131.1
[M-H]- 122.06113 127.8
[M+Na-2H]- 144.04308 131.6
[M]+ 123.06786 127.4
[M]- 123.06896 127.4
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.