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]+ 140.10700 127.8
[M+Na]+ 162.08894 139.4
[M-H]- 138.09244 135.1
[M+NH4]+ 157.13354 149.5
[M+K]+ 178.06288 139.2
[M+H-H2O]+ 122.09698 124.8
[M+HCOO]- 184.09792 153.5
[M+CH3COO]- 198.11357 183.5
[M+Na-2H]- 160.07439 136.2
[M]+ 139.09917 133.7
[M]- 139.10027 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.