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

4
Patents

111.06841 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 121.9
[M+Na]+ 134.05763 132.8
[M-H]- 110.06113 128.8
[M+NH4]+ 129.10223 142.5
[M+K]+ 150.03157 132.2
[M+H-H2O]+ 94.065670 117.5
[M+HCOO]- 156.06661 148.6
[M+CH3COO]- 170.08226 176.8
[M+Na-2H]- 132.04308 130.6
[M]+ 111.06786 126.1
[M]- 111.06896 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