CID 20279740

1-isocyanato-1-methylcyclopentane

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1(CCCC1)N=C=O
InChI
InChI=1S/C7H11NO/c1-7(8-6-9)4-2-3-5-7/h2-5H2,1H3
InChIKey
QFIYHNMFCODXNG-UHFFFAOYSA-N
Compound name
1-isocyanato-1-methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

125.08406 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.3
[M+Na]+ 148.07328 131.4
[M-H]- 124.07678 129.1
[M+NH4]+ 143.11788 150.4
[M+K]+ 164.04722 131.1
[M+H-H2O]+ 108.08132 119.6
[M+HCOO]- 170.08226 150.5
[M+CH3COO]- 184.09791 172.7
[M+Na-2H]- 146.05873 131.3
[M]+ 125.08351 122.6
[M]- 125.08461 122.6
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