CID 165266

Myrtanal

Structural Information

Molecular Formula
C10H16O
SMILES
CC1(C2CCC(C1C2)C=O)C
InChI
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h6-9H,3-5H2,1-2H3
InChIKey
OOCLVMCVOWKECB-UHFFFAOYSA-N
Compound name
6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

1522
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 142.1
[M+Na]+ 175.109338 148.3
[M-H]- 151.112844 141.9
[M+NH4]+ 170.153943 163.4
[M+K]+ 191.083278 149.1
[M+H-H2O]+ 135.117380 134.5
[M+HCOO]- 197.118321 155.8
[M+CH3COO]- 211.133971 186.0
[M+Na-2H]- 173.094786 151.6
[M]+ 152.11957142 153.4
[M]- 152.12066858 153.4
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