CID 105784299

(2-isocyanatopropan-2-yl)cyclopropane

Structural Information

Molecular Formula
C7H11NO
SMILES
CC(C)(C1CC1)N=C=O
InChI
InChI=1S/C7H11NO/c1-7(2,8-5-9)6-3-4-6/h6H,3-4H2,1-2H3
InChIKey
BPVHJXCEURSCDS-UHFFFAOYSA-N
Compound name
2-isocyanatopropan-2-ylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 128.0
[M+Na]+ 148.07328 139.6
[M+NH4]+ 143.11788 136.8
[M+K]+ 164.04722 135.7
[M-H]- 124.07678 135.9
[M+Na-2H]- 146.05873 136.1
[M]+ 125.08351 132.8
[M]- 125.08461 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.