CID 63109949

2-isocyanato-1,1-dimethylcyclopropane

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1(CC1N=C=O)C
InChI
InChI=1S/C6H9NO/c1-6(2)3-5(6)7-4-8/h5H,3H2,1-2H3
InChIKey
QRWYCQPBTMPGRL-UHFFFAOYSA-N
Compound name
2-isocyanato-1,1-dimethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

111.06841 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 121.9
[M+Na]+ 134.057628 132.8
[M-H]- 110.061134 128.8
[M+NH4]+ 129.102233 142.5
[M+K]+ 150.031568 132.2
[M+H-H2O]+ 94.065670 117.5
[M+HCOO]- 156.066611 148.6
[M+CH3COO]- 170.082261 176.8
[M+Na-2H]- 132.043076 130.6
[M]+ 111.06786142 126.1
[M]- 111.06895858 126.1
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