CID 15813637

(isocyanatomethyl)cyclopentane

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CCC(C1)CN=C=O
InChI
InChI=1S/C7H11NO/c9-6-8-5-7-3-1-2-4-7/h7H,1-5H2
InChIKey
BKUQMJAYHDQMFH-UHFFFAOYSA-N
Compound name
isocyanatomethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

125.08406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 127.5
[M+Na]+ 148.07328 136.9
[M+NH4]+ 143.11788 136.3
[M+K]+ 164.04722 132.2
[M-H]- 124.07678 129.4
[M+Na-2H]- 146.05873 132.5
[M]+ 125.08351 129.0
[M]- 125.08461 129.0
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