CID 11286688

Tert-butyl (2e)-3-cyclopropylprop-2-enoate

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(C)(C)OC(=O)/C=C/C1CC1
InChI
InChI=1S/C10H16O2/c1-10(2,3)12-9(11)7-6-8-4-5-8/h6-8H,4-5H2,1-3H3/b7-6+
InChIKey
CHARVJRVUVPIPW-VOTSOKGWSA-N
Compound name
tert-butyl (E)-3-cyclopropylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

168.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 138.9
[M+Na]+ 191.10426 147.4
[M-H]- 167.10776 143.5
[M+NH4]+ 186.14886 155.0
[M+K]+ 207.07820 145.5
[M+H-H2O]+ 151.11230 133.6
[M+HCOO]- 213.11324 160.2
[M+CH3COO]- 227.12889 182.3
[M+Na-2H]- 189.08971 144.0
[M]+ 168.11449 143.0
[M]- 168.11559 143.0
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