CID 520440

P-menth-1-en-9-al

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CCC(CC1)C(C)C=O
InChI
InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3
InChIKey
UMEJBWOWZDRULR-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-3-en-1-yl)propanal
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

159
Patents

152.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 133.5
[M+Na]+ 175.109338 139.4
[M-H]- 151.112844 136.7
[M+NH4]+ 170.153943 154.7
[M+K]+ 191.083278 138.2
[M+H-H2O]+ 135.117380 128.2
[M+HCOO]- 197.118321 154.3
[M+CH3COO]- 211.133971 178.2
[M+Na-2H]- 173.094786 137.3
[M]+ 152.11957142 131.4
[M]- 152.12066858 131.4
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