CID 137951794

2-(2-bromoethoxy)-2-cyclopropylacetonitrile

Structural Information

Molecular Formula
C7H10BrNO
SMILES
C1CC1C(C#N)OCCBr
InChI
InChI=1S/C7H10BrNO/c8-3-4-10-7(5-9)6-1-2-6/h6-7H,1-4H2
InChIKey
XELKRLAGXCRRKW-UHFFFAOYSA-N
Compound name
2-(2-bromoethoxy)-2-cyclopropylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

202.99458 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.001856 133.6
[M+Na]+ 225.983798 151.2
[M-H]- 201.987304 140.9
[M+NH4]+ 221.028403 151.6
[M+K]+ 241.957738 138.1
[M+H-H2O]+ 185.991840 129.0
[M+HCOO]- 247.992781 154.9
[M+CH3COO]- 262.008431 197.6
[M+Na-2H]- 223.969246 141.9
[M]+ 202.99403142 149.6
[M]- 202.99512858 149.6
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