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

101
Patents

125.08406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 125.4
[M+Na]+ 148.073278 131.6
[M-H]- 124.076784 129.8
[M+NH4]+ 143.117883 149.5
[M+K]+ 164.047218 131.1
[M+H-H2O]+ 108.081320 119.8
[M+HCOO]- 170.082261 151.5
[M+CH3COO]- 184.097911 173.2
[M+Na-2H]- 146.058726 131.2
[M]+ 125.08351142 123.4
[M]- 125.08460858 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