CID 530403

Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(=CCCC1(C(O1)CO)C)C
InChI
InChI=1S/C10H18O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3
InChIKey
RZRBXGPSHVAUQO-UHFFFAOYSA-N
Compound name
[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

604
Patents

170.13068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 138.4
[M+Na]+ 193.11990 147.4
[M-H]- 169.12340 142.7
[M+NH4]+ 188.16450 154.6
[M+K]+ 209.09384 146.6
[M+H-H2O]+ 153.12794 134.0
[M+HCOO]- 215.12888 158.2
[M+CH3COO]- 229.14453 182.2
[M+Na-2H]- 191.10535 144.1
[M]+ 170.13013 143.5
[M]- 170.13123 143.5
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

No patent data available for this compound.