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]+ 204.00186 133.6
[M+Na]+ 225.98380 151.2
[M-H]- 201.98730 140.9
[M+NH4]+ 221.02840 151.6
[M+K]+ 241.95774 138.1
[M+H-H2O]+ 185.99184 129.0
[M+HCOO]- 247.99278 154.9
[M+CH3COO]- 262.00843 197.6
[M+Na-2H]- 223.96925 141.9
[M]+ 202.99403 149.6
[M]- 202.99513 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