CID 62095

Cis,cis-photocitral a

Structural Information

Molecular Formula
C10H16O
SMILES
C[C@@H]1CC[C@@H]([C@@H]1C=O)C(=C)C
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(9)6-11/h6,8-10H,1,4-5H2,2-3H3/t8-,9-,10-/m1/s1
InChIKey
JCDLXWAYWSJVTP-OPRDCNLKSA-N
Compound name
(1R,2R,5S)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

66
Patents

152.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 134.3
[M+Na]+ 175.10934 141.4
[M-H]- 151.11284 137.8
[M+NH4]+ 170.15394 157.6
[M+K]+ 191.08328 139.7
[M+H-H2O]+ 135.11738 129.8
[M+HCOO]- 197.11832 155.9
[M+CH3COO]- 211.13397 178.6
[M+Na-2H]- 173.09479 135.3
[M]+ 152.11957 132.5
[M]- 152.12067 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe