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
6
Annotation Hits

0
References

61
Patents

152.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 134.3
[M+Na]+ 175.109338 141.4
[M-H]- 151.112844 137.8
[M+NH4]+ 170.153943 157.6
[M+K]+ 191.083278 139.7
[M+H-H2O]+ 135.117380 129.8
[M+HCOO]- 197.118321 155.9
[M+CH3COO]- 211.133971 178.6
[M+Na-2H]- 173.094786 135.3
[M]+ 152.11957142 132.5
[M]- 152.12066858 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