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

408
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

literature stripe

Patent stripe

patents stripe