CID 637566

Geraniol

Structural Information

Molecular Formula
C10H18O
SMILES
CC(=CCC/C(=C/CO)/C)C
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
InChIKey
GLZPCOQZEFWAFX-JXMROGBWSA-N
Compound name
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

1291
References

99409
Patents

154.13577 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 138.9
[M+Na]+ 177.124988 144.5
[M-H]- 153.128494 137.5
[M+NH4]+ 172.169593 159.6
[M+K]+ 193.098928 142.5
[M+H-H2O]+ 137.133030 134.5
[M+HCOO]- 199.133971 158.6
[M+CH3COO]- 213.149621 177.1
[M+Na-2H]- 175.110436 140.9
[M]+ 154.13522142 138.4
[M]- 154.13631858 138.4
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