CID 1252759

Alpha-campholenal

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CC[C@@H](C1(C)C)CC=O
InChI
InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1
InChIKey
OGCGGWYLHSJRFY-SECBINFHSA-N
Compound name
2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

1232
Patents

152.12012 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 131.4
[M+Na]+ 175.10934 140.4
[M-H]- 151.11284 135.5
[M+NH4]+ 170.15394 157.0
[M+K]+ 191.08328 138.8
[M+H-H2O]+ 135.11738 127.6
[M+HCOO]- 197.11832 155.4
[M+CH3COO]- 211.13397 177.8
[M+Na-2H]- 173.09479 135.9
[M]+ 152.11957 132.7
[M]- 152.12067 132.7
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