CID 6427119

2-methylbutyl angelate

Structural Information

Molecular Formula
C10H18O2
SMILES
CCC(C)COC(=O)/C(=C\C)/C
InChI
InChI=1S/C10H18O2/c1-5-8(3)7-12-10(11)9(4)6-2/h6,8H,5,7H2,1-4H3/b9-6-
InChIKey
DEJJNOHKWLTTKE-TWGQIWQCSA-N
Compound name
2-methylbutyl (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

170.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 141.0
[M+Na]+ 193.11990 146.8
[M-H]- 169.12340 141.1
[M+NH4]+ 188.16450 161.7
[M+K]+ 209.09384 146.7
[M+H-H2O]+ 153.12794 136.3
[M+HCOO]- 215.12888 161.6
[M+CH3COO]- 229.14453 182.6
[M+Na-2H]- 191.10535 142.4
[M]+ 170.13013 143.3
[M]- 170.13123 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe