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 126.8
[M+Na]+ 148.07328 136.2
[M-H]- 124.07678 133.1
[M+NH4]+ 143.11788 144.8
[M+K]+ 164.04722 134.9
[M+H-H2O]+ 108.08132 121.4
[M+HCOO]- 170.08226 152.2
[M+CH3COO]- 184.09791 179.3
[M+Na-2H]- 146.05873 135.2
[M]+ 125.08351 130.2
[M]- 125.08461 130.2
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.