CID 61275

Nerol oxide

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CCOC(C1)C=C(C)C
InChI
InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3
InChIKey
FRISMOQHTLZZRP-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

797
Patents

152.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 134.3
[M+Na]+ 175.10934 146.3
[M+NH4]+ 170.15394 143.3
[M+K]+ 191.08328 140.1
[M-H]- 151.11284 137.8
[M+Na-2H]- 173.09479 139.5
[M]+ 152.11957 137.0
[M]- 152.12067 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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