CID 2724508

(r,r)-chrysanthemol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(=C[C@@H]1[C@H](C1(C)C)CO)C

InChI

InChI=1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3/t8-,9-/m1/s1

InChIKey

HIPIENNKVJCMAP-RKDXNWHRSA-N

Compound name

[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 385
Patents: 154.13577 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.14305	133.4
[M+Na]+	177.12499	143.1
[M-H]-	153.12849	137.4
[M+NH4]+	172.16959	151.7
[M+K]+	193.09893	140.9
[M+H-H2O]+	137.13303	129.7
[M+HCOO]-	199.13397	153.9
[M+CH3COO]-	213.14962	181.5
[M+Na-2H]-	175.11044	137.4
[M]+	154.13522	136.7
[M]-	154.13632	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe