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

26
Patents

126.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 127.8
[M+Na]+ 149.093678 136.9
[M-H]- 125.097184 132.6
[M+NH4]+ 144.138283 145.4
[M+K]+ 165.067618 135.3
[M+H-H2O]+ 109.101720 122.7
[M+HCOO]- 171.102661 150.2
[M+CH3COO]- 185.118311 176.7
[M+Na-2H]- 147.079126 135.1
[M]+ 126.10391142 131.3
[M]- 126.10500858 131.3
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