CID 66475946

3-isocyanato-1,1,2,2-tetramethylcyclopropane

Structural Information

Molecular Formula
C8H13NO
SMILES
CC1(C(C1(C)C)N=C=O)C
InChI
InChI=1S/C8H13NO/c1-7(2)6(9-5-10)8(7,3)4/h6H,1-4H3
InChIKey
ADBDLGGHWAIERP-UHFFFAOYSA-N
Compound name
3-isocyanato-1,1,2,2-tetramethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 127.8
[M+Na]+ 162.088938 139.4
[M-H]- 138.092444 135.1
[M+NH4]+ 157.133543 149.5
[M+K]+ 178.062878 139.2
[M+H-H2O]+ 122.096980 124.8
[M+HCOO]- 184.097921 153.5
[M+CH3COO]- 198.113571 183.5
[M+Na-2H]- 160.074386 136.2
[M]+ 139.09917142 133.7
[M]- 139.10026858 133.7
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

No patent data available for this compound.