CID 169211

Nopylaldehyde

Structural Information

Molecular Formula
C11H16O
SMILES
CC1(C2CC=C(C1C2)CC=O)C
InChI
InChI=1S/C11H16O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,6,9-10H,4-5,7H2,1-2H3
InChIKey
BLKPFVWYBFDTPX-UHFFFAOYSA-N
Compound name
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1007
Patents

164.12012 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 145.9
[M+Na]+ 187.109338 152.7
[M-H]- 163.112844 145.8
[M+NH4]+ 182.153943 166.8
[M+K]+ 203.083278 153.0
[M+H-H2O]+ 147.117380 138.0
[M+HCOO]- 209.118321 160.7
[M+CH3COO]- 223.133971 188.5
[M+Na-2H]- 185.094786 155.7
[M]+ 164.11957142 158.9
[M]- 164.12066858 158.9
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