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

12
Patents

168.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 138.9
[M+Na]+ 191.104258 147.4
[M-H]- 167.107764 143.5
[M+NH4]+ 186.148863 155.0
[M+K]+ 207.078198 145.5
[M+H-H2O]+ 151.112300 133.6
[M+HCOO]- 213.113241 160.2
[M+CH3COO]- 227.128891 182.3
[M+Na-2H]- 189.089706 144.0
[M]+ 168.11449142 143.0
[M]- 168.11558858 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