CID 11815835

1-isocyanatocyclopent-1-ene

Structural Information

Molecular Formula
C6H7NO
SMILES
C1CC=C(C1)N=C=O
InChI
InChI=1S/C6H7NO/c8-5-7-6-3-1-2-4-6/h3H,1-2,4H2
InChIKey
HFMLPDMBRIECDB-UHFFFAOYSA-N
Compound name
1-isocyanatocyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

109.052765 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 121.2
[M+Na]+ 132.04198 131.7
[M+NH4]+ 127.08659 130.3
[M+K]+ 148.01592 127.1
[M-H]- 108.04549 123.3
[M+Na-2H]- 130.02743 127.4
[M]+ 109.05222 123.0
[M]- 109.05331 123.0
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