CID 6432223

(r,r)-chrysanthemal

Structural Information

Molecular Formula
C10H16O
SMILES
CC(=C[C@@H]1[C@H](C1(C)C)C=O)C
InChI
InChI=1S/C10H16O/c1-7(2)5-8-9(6-11)10(8,3)4/h5-6,8-9H,1-4H3/t8-,9-/m1/s1
InChIKey
NQLKPDBZZUIQGM-RKDXNWHRSA-N
Compound name
trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

152.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 132.5
[M+Na]+ 175.109338 142.9
[M-H]- 151.112844 137.9
[M+NH4]+ 170.153943 151.5
[M+K]+ 191.083278 141.0
[M+H-H2O]+ 135.117380 128.6
[M+HCOO]- 197.118321 154.7
[M+CH3COO]- 211.133971 183.2
[M+Na-2H]- 173.094786 137.0
[M]+ 152.11957142 137.0
[M]- 152.12066858 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

literature stripe

Patent stripe

patents stripe