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

85
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 125.4
[M+Na]+ 148.07328 131.6
[M-H]- 124.07678 129.8
[M+NH4]+ 143.11788 149.5
[M+K]+ 164.04722 131.1
[M+H-H2O]+ 108.08132 119.8
[M+HCOO]- 170.08226 151.5
[M+CH3COO]- 184.09791 173.2
[M+Na-2H]- 146.05873 131.2
[M]+ 125.08351 123.4
[M]- 125.08461 123.4
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

patents stripe