CID 86640372

3-cyclopropyl-3-methylbutanal

Structural Information

Molecular Formula
C8H14O
SMILES
CC(C)(CC=O)C1CC1
InChI
InChI=1S/C8H14O/c1-8(2,5-6-9)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKey
FBGZQHRFVCVHSZ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-3-methylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

126.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 129.1
[M+Na]+ 149.09368 141.2
[M+NH4]+ 144.13828 138.2
[M+K]+ 165.06762 137.0
[M-H]- 125.09718 136.6
[M+Na-2H]- 147.07913 136.9
[M]+ 126.10391 134.0
[M]- 126.10501 134.0
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