CID 45476

Butyl 2-butoxycyclopropane-1-carboxylate

Structural Information

Molecular Formula
C12H22O3
SMILES
CCCCOC1CC1C(=O)OCCCC
InChI
InChI=1S/C12H22O3/c1-3-5-7-14-11-9-10(11)12(13)15-8-6-4-2/h10-11H,3-9H2,1-2H3
InChIKey
OJUUXCCHJGMHEO-UHFFFAOYSA-N
Compound name
butyl 2-butoxycyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.15689 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.16417 151.8
[M+Na]+ 237.14611 159.5
[M-H]- 213.14961 155.9
[M+NH4]+ 232.19071 166.1
[M+K]+ 253.12005 157.4
[M+H-H2O]+ 197.15415 145.3
[M+HCOO]- 259.15509 173.8
[M+CH3COO]- 273.17074 192.9
[M+Na-2H]- 235.13156 154.4
[M]+ 214.15634 159.7
[M]- 214.15744 159.7
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

No patent data available for this compound.