CID 13626218

1-cyano-cyclopropanecarboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC(C)(C)OC(=O)C1(CC1)C#N
InChI
InChI=1S/C9H13NO2/c1-8(2,3)12-7(11)9(6-10)4-5-9/h4-5H2,1-3H3
InChIKey
MKWBPXNKDXMTRP-UHFFFAOYSA-N
Compound name
tert-butyl 1-cyanocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 137.9
[M+Na]+ 190.08386 148.5
[M+NH4]+ 185.12846 143.7
[M+K]+ 206.05780 141.3
[M-H]- 166.08736 137.2
[M+Na-2H]- 188.06931 143.4
[M]+ 167.09409 139.5
[M]- 167.09519 139.5
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